diff --git a/templ_enum.cif b/templ_enum.cif index 1c9be3e..807bb4d 100644 --- a/templ_enum.cif +++ b/templ_enum.cif @@ -1200,34 +1200,327 @@ save_length_neutron [ Am ] 8.3 [ Cm ] 9.5 [ Bk ] 9.5 [ Cf ] 0. save_ +save_dispersion_real_ti + + _units.code none + + loop_ + _enumeration_source.id + _enumeration_source.reference + a 'International Tables Vol. C Table 4.2.6.8 3rd ed.' + + loop_ + _enumeration_defaults.index + _enumeration_defaults.value + _enumeration_defaults.source_id + [ H ] 0.0000 a [ D ] 0.0000 a [ He ] 0.0000 a [ Li ] 0.0035 a [ Be ] 0.0117 a + [ B ] 0.0263 a [ C ] 0.0490 a [ N ] 0.0807 a [ O ] 0.1213 a [ F ] 0.1700 a + [ Ne ] 0.2257 a [ Na ] 0.2801 a [ Mg ] 0.3299 a [ Al ] 0.3760 a [ Si ] 0.3921 a + [ P ] 0.3821 a [ S ] 0.3167 a [ Cl ] 0.1832 a [ Ar ] -0.0656 a [ K ] -0.5083 a + [ Ca ] -1.3666 a [ Sc ] -5.4265 a [ Ti ] -2.2250 a [ V ] -1.6269 a [ Cr ] -1.2999 a + [ Mn ] -1.0732 a [ Fe ] -0.8901 a [ Co ] -0.7307 a [ Ni ] -0.5921 a [ Cu ] -0.4430 a + [ Zn ] -0.3524 a [ Ga ] -0.2524 a [ Ge ] -0.1549 a [ As ] -0.0687 a [ Se ] 0.0052 a + [ Br ] 0.0592 a [ Kr ] 0.1009 a [ Rb ] 0.1056 a [ Sr ] 0.1220 a [ Y ] 0.0654 a + [ Zr ] -0.0304 a [ Nb ] -0.1659 a [ Mo ] -0.3487 a [ Tc ] -0.6073 a [ Ru ] -0.9294 a + [ Rh ] -1.3551 a [ Pd ] -1.9086 a [ Ag ] -2.5003 a [ Cd ] -3.5070 a [ In ] -5.1325 a + [ Sn ] -7.5862 a [ Sb ] -9.2145 a [ Te ] -11.6068 a [ I ] -13.9940 a [ Xe ] -9.6593 a + [ Cs ] -8.1342 a [ Ba ] -7.2079 a [ La ] -6.5722 a [ Ce ] -6.0641 a [ Pr ] -5.6727 a + [ Nd ] -5.3510 a [ Pm ] -5.0783 a [ Sm ] -4.8443 a [ Eu ] -4.6288 a [ Gd ] -4.5094 a + [ Tb ] -4.3489 a [ Dy ] -4.1616 a [ Ho ] -4.0280 a [ Er ] -3.9471 a [ Tm ] -3.9079 a + [ Yb ] -3.8890 a [ Lu ] -3.9056 a [ Hf ] -4.0452 a [ Ta ] -4.0905 a [ W ] -4.1530 a + [ Re ] -4.2681 a [ Os ] -4.4183 a [ Ir ] -4.5860 a [ Pt ] -4.8057 a [ Au ] -5.0625 a + [ Hg ] -5.4327 a [ Tl ] -5.8163 a [ Pb ] -6.4779 a [ Bi ] -7.0419 a [ Po ] -7.7195 a + [ At ] -8.5994 a [ Rn ] -10.2749 a [ Fr ] -10.8938 a [ Ra ] -12.3462 a [ Ac ] -12.3496 a + [ Th ] -13.6049 a [ Pa ] -14.4639 a [ U ] -12.3528 a [ Np ] -17.4143 a [ Pu ] -18.0862 a + [ Am ] -19.7042 a [ Cm ] -24.9307 a [ Bk ] -32.8492 a [ Cf ] -23.6520 a + +save_ + +save_dispersion_imag_ti + + _units.code none + + loop_ + _enumeration_source.id + _enumeration_source.reference + a 'International Tables Vol. C Table 4.2.6.8 3rd ed.' + + loop_ + _enumeration_defaults.index + _enumeration_defaults.value + _enumeration_defaults.source_id + [ H ] 0.0000 a [ D ] 0.0000 a [ He ] 0.0000 a [ Li ] 0.0013 a [ Be ] 0.0050 a + [ B ] 0.0139 a [ C ] 0.0313 a [ N ] 0.0606 a [ O ] 0.1057 a [ F ] 0.1710 a + [ Ne ] 0.2621 a [ Na ] 0.3829 a [ Mg ] 0.5365 a [ Al ] 0.7287 a [ Si ] 0.9619 a + [ P ] 1.2423 a [ S ] 1.5665 a [ Cl ] 1.9384 a [ Ar ] 2.3670 a [ K ] 2.8437 a + [ Ca ] 3.3694 a [ Sc ] 4.0017 a [ Ti ] 0.5264 a [ V ] 0.6340 a [ Cr ] 0.7569 a + [ Mn ] 0.8956 a [ Fe ] 1.0521 a [ Co ] 1.2272 a [ Ni ] 1.4240 a [ Cu ] 1.6427 a + [ Zn ] 1.8861 a [ Ga ] 2.1518 a [ Ge ] 2.4445 a [ As ] 2.7627 a [ Se ] 3.1131 a + [ Br ] 3.4901 a [ Kr ] 3.9083 a [ Rb ] 4.3505 a [ Sr ] 4.8946 a [ Y ] 5.4198 a + [ Zr ] 5.9818 a [ Nb ] 6.5803 a [ Mo ] 7.2047 a [ Tc ] 7.8739 a [ Ru ] 8.5988 a + [ Rh ] 9.3504 a [ Pd ] 10.1441 a [ Ag ] 10.9916 a [ Cd ] 11.9019 a [ In ] 12.6310 a + [ Sn ] 13.5168 a [ Sb ] 12.7661 a [ Te ] 10.1013 a [ I ] 3.4071 a [ Xe ] 3.7063 a + [ Cs ] 4.0732 a [ Ba ] 4.4110 a [ La ] 4.7587 a [ Ce ] 5.1301 a [ Pr ] 5.5091 a + [ Nd ] 5.9005 a [ Pm ] 6.3144 a [ Sm ] 6.7524 a [ Eu ] 7.2035 a [ Gd ] 7.6708 a + [ Tb ] 8.1882 a [ Dy ] 8.6945 a [ Ho ] 9.2302 a [ Er ] 9.7921 a [ Tm ] 10.3763 a + [ Yb ] 10.9742 a [ Lu ] 11.5787 a [ Hf ] 12.2546 a [ Ta ] 12.9479 a [ W ] 13.6643 a + [ Re ] 14.3931 a [ Os ] 15.1553 a [ Ir ] 15.9558 a [ Pt ] 16.7870 a [ Au ] 17.6400 a + [ Hg ] 18.5241 a [ Tl ] 19.4378 a [ Pb ] 20.3336 a [ Bi ] 21.2196 a [ Po ] 22.1974 a + [ At ] 23.2213 a [ Rn ] 24.2613 a [ Fr ] 24.3041 a [ Ra ] 25.5374 a [ Ac ] 25.1363 a + [ Th ] 26.2511 a [ Pa ] 27.4475 a [ U ] 30.1725 a [ Np ] 31.7405 a [ Pu ] 33.8963 a + [ Am ] 37.3716 a [ Cm ] 41.4852 a [ Bk ] 32.5421 a [ Cf ] 21.9334 a + +save_ + +save_dispersion_real_cr + + _units.code none + + loop_ + _enumeration_source.id + _enumeration_source.reference + a 'International Tables Vol. C Table 4.2.6.8 3rd ed.' + + loop_ + _enumeration_defaults.index + _enumeration_defaults.value + _enumeration_defaults.source_id + [ H ] 0.0000 a [ D ] 0.0000 a [ He ] 0.0000 a [ Li ] 0.0023 a [ Be ] 0.0083 a + [ B ] 0.0190 a [ C ] 0.0364 a [ N ] 0.0606 a [ O ] 0.0928 a [ F ] 0.1324 a + [ Ne ] 0.1793 a [ Na ] 0.2295 a [ Mg ] 0.2778 a [ Al ] 0.3260 a [ Si ] 0.3647 a + [ P ] 0.3898 a [ S ] 0.3899 a [ Cl ] 0.3508 a [ Ar ] 0.2609 a [ K ] 0.0914 a + [ Ca ] -0.1987 a [ Sc ] -0.6935 a [ Ti ] -1.6394 a [ V ] -4.4818 a [ Cr ] -2.1308 a + [ Mn ] -1.5980 a [ Fe ] -1.2935 a [ Co ] -1.0738 a [ Ni ] -0.9005 a [ Cu ] -0.7338 a + [ Zn ] -0.6166 a [ Ga ] -0.4989 a [ Ge ] -0.3858 a [ As ] -0.2871 a [ Se ] -0.1919 a + [ Br ] -0.1095 a [ Kr ] -0.0316 a [ Rb ] 0.0247 a [ Sr ] 0.1037 a [ Y ] 0.1263 a + [ Zr ] 0.1338 a [ Nb ] 0.1211 a [ Mo ] 0.0801 a [ Tc ] -0.0025 a [ Ru ] -0.1091 a + [ Rh ] -0.2630 a [ Pd ] -0.4640 a [ Ag ] -0.7387 a [ Cd ] -1.1086 a [ In ] -1.5975 a + [ Sn ] -2.2019 a [ Sb ] -3.0637 a [ Te ] -4.2407 a [ I ] -5.6353 a [ Xe ] -8.1899 a + [ Cs ] -10.3310 a [ Ba ] -11.0454 a [ La ] -12.8190 a [ Ce ] -9.3304 a [ Pr ] -7.9841 a + [ Nd ] -7.1451 a [ Pm ] -6.5334 a [ Sm ] -6.0570 a [ Eu ] -5.6630 a [ Gd ] -5.3778 a + [ Tb ] -5.0951 a [ Dy ] -4.8149 a [ Ho ] -4.5887 a [ Er ] -4.4106 a [ Tm ] -4.2698 a + [ Yb ] -4.1523 a [ Lu ] -4.0630 a [ Hf ] -4.0564 a [ Ta ] -3.9860 a [ W ] -3.9270 a + [ Re ] -3.9052 a [ Os ] -3.9016 a [ Ir ] -3.9049 a [ Pt ] -3.9435 a [ Au ] -3.9908 a + [ Hg ] -4.1029 a [ Tl ] -4.2233 a [ Pb ] -4.4167 a [ Bi ] -4.6533 a [ Po ] -4.9604 a + [ At ] -5.3399 a [ Rn ] -5.7275 a [ Fr ] -6.2180 a [ Ra ] -6.7502 a [ Ac ] -7.4161 a + [ Th ] -8.2118 a [ Pa ] -9.4459 a [ U ] -9.9362 a [ Np ] -11.1080 a [ Pu ] -11.4073 a + [ Am ] -11.7097 a [ Cm ] -10.4100 a [ Bk ] -9.2185 a [ Cf ] -23.5202 a + +save_ + +save_dispersion_imag_cr + + _units.code none + + loop_ + _enumeration_source.id + _enumeration_source.reference + a 'International Tables Vol. C Table 4.2.6.8 3rd ed.' + + loop_ + _enumeration_defaults.index + _enumeration_defaults.value + _enumeration_defaults.source_id + [ H ] 0.0000 a [ D ] 0.0000 a [ He ] 0.0000 a [ Li ] 0.0008 a [ Be ] 0.0033 a + [ B ] 0.0094 a [ C ] 0.0213 a [ N ] 0.0416 a [ O ] 0.0731 a [ F ] 0.1192 a + [ Ne ] 0.1837 a [ Na ] 0.2699 a [ Mg ] 0.3812 a [ Al ] 0.5212 a [ Si ] 0.6921 a + [ P ] 0.8984 a [ S ] 1.1410 a [ Cl ] 1.4222 a [ Ar ] 1.7458 a [ K ] 2.1089 a + [ Ca ] 2.5138 a [ Sc ] 2.9646 a [ Ti ] 3.4538 a [ V ] 0.4575 a [ Cr ] 0.5468 a + [ Mn ] 0.6479 a [ Fe ] 0.7620 a [ Co ] 0.8897 a [ Ni ] 1.0331 a [ Cu ] 1.1930 a + [ Zn ] 1.3712 a [ Ga ] 1.5674 a [ Ge ] 1.7841 a [ As ] 2.0194 a [ Se ] 2.2784 a + [ Br ] 2.5578 a [ Kr ] 2.8669 a [ Rb ] 3.1954 a [ Sr ] 3.6029 a [ Y ] 3.9964 a + [ Zr ] 4.4226 a [ Nb ] 4.8761 a [ Mo ] 5.3484 a [ Tc ] 5.8597 a [ Ru ] 6.4069 a + [ Rh ] 6.9820 a [ Pd ] 7.5938 a [ Ag ] 8.2358 a [ Cd ] 8.9174 a [ In ] 9.6290 a + [ Sn ] 10.3742 a [ Sb ] 11.1026 a [ Te ] 11.8079 a [ I ] 12.6156 a [ Xe ] 11.7407 a + [ Cs ] 12.8551 a [ Ba ] 10.0919 a [ La ] 3.5648 a [ Ce ] 3.8433 a [ Pr ] 4.1304 a + [ Nd ] 4.4278 a [ Pm ] 4.7422 a [ Sm ] 5.0744 a [ Eu ] 5.4178 a [ Gd ] 5.7756 a + [ Tb ] 6.1667 a [ Dy ] 6.5527 a [ Ho ] 6.9619 a [ Er ] 7.3910 a [ Tm ] 7.8385 a + [ Yb ] 8.2969 a [ Lu ] 8.7649 a [ Hf ] 9.2832 a [ Ta ] 9.8171 a [ W ] 10.3696 a + [ Re ] 10.9346 a [ Os ] 11.5251 a [ Ir ] 12.1453 a [ Pt ] 12.7910 a [ Au ] 13.4551 a + [ Hg ] 14.1473 a [ Tl ] 14.8643 a [ Pb ] 15.5987 a [ Bi ] 16.3448 a [ Po ] 17.1410 a + [ At ] 17.9390 a [ Rn ] 18.7720 a [ Fr ] 19.6009 a [ Ra ] 20.4389 a [ Ac ] 21.3053 a + [ Th ] 22.2248 a [ Pa ] 23.1548 a [ U ] 23.1239 a [ Np ] 24.1168 a [ Pu ] 23.2960 a + [ Am ] 24.5715 a [ Cm ] 25.8115 a [ Bk ] 29.3028 a [ Cf ] 31.2999 a + +save_ + +save_dispersion_real_fe + + _units.code none + + loop_ + _enumeration_source.id + _enumeration_source.reference + a 'International Tables Vol. C Table 4.2.6.8 3rd ed.' + + loop_ + _enumeration_defaults.index + _enumeration_defaults.value + _enumeration_defaults.source_id + [ H ] 0.0000 a [ D ] 0.0000 a [ He ] 0.0000 a [ Li ] 0.0015 a [ Be ] 0.0060 a + [ B ] 0.0140 a [ C ] 0.0273 a [ N ] 0.0461 a [ O ] 0.0716 a [ F ] 0.1037 a + [ Ne ] 0.1426 a [ Na ] 0.1857 a [ Mg ] 0.2309 a [ Al ] 0.2774 a [ Si ] 0.3209 a + [ P ] 0.3592 a [ S ] 0.3848 a [ Cl ] 0.3920 a [ Ar ] 0.3696 a [ K ] 0.3068 a + [ Ca ] 0.1867 a [ Sc ] -0.0120 a [ Ti ] -0.3318 a [ V ] -0.8645 a [ Cr ] -1.9210 a + [ Mn ] -3.5716 a [ Fe ] -2.0554 a [ Co ] -1.5743 a [ Ni ] -1.2894 a [ Cu ] -1.0699 a + [ Zn ] -0.9134 a [ Ga ] -0.7701 a [ Ge ] -0.6412 a [ As ] -0.5260 a [ Se ] -0.4179 a + [ Br ] -0.3244 a [ Kr ] -0.2303 a [ Rb ] -0.1516 a [ Sr ] -0.0489 a [ Y ] 0.0138 a + [ Zr ] 0.0659 a [ Nb ] 0.1072 a [ Mo ] 0.1301 a [ Tc ] 0.1314 a [ Ru ] 0.1220 a + [ Rh ] 0.0861 a [ Pd ] 0.0279 a [ Ag ] -0.0700 a [ Cd ] -0.2163 a [ In ] -0.4165 a + [ Sn ] -0.6686 a [ Sb ] -0.9868 a [ Te ] -1.4022 a [ I ] -1.9032 a [ Xe ] -2.6313 a + [ Cs ] -3.5831 a [ Ba ] -4.6472 a [ La ] -6.3557 a [ Ce ] -8.0962 a [ Pr ] -10.9279 a + [ Nd ] -10.5249 a [ Pm ] -13.2062 a [ Sm ] -9.3497 a [ Eu ] -7.9854 a [ Gd ] -7.1681 a + [ Tb ] -6.5583 a [ Dy ] -6.0597 a [ Ho ] -5.6628 a [ Er ] -5.3448 a [ Tm ] -5.0823 a + [ Yb ] -4.8591 a [ Lu ] -4.6707 a [ Hf ] -4.4593 a [ Ta ] -4.3912 a [ W ] -4.2486 a + [ Re ] -4.1390 a [ Os ] -4.0478 a [ Ir ] -3.9606 a [ Pt ] -3.8977 a [ Au ] -3.8356 a + [ Hg ] -3.8228 a [ Tl ] -3.8103 a [ Pb ] -3.8519 a [ Bi ] -3.9228 a [ Po ] -4.0267 a + [ At ] -4.1781 a [ Rn ] -4.3331 a [ Fr ] -4.5387 a [ Ra ] -4.7764 a [ Ac ] -5.0617 a + [ Th ] -5.3692 a [ Pa ] -5.7337 a [ U ] -6.1485 a [ Np ] -6.6136 a [ Pu ] -6.9721 a + [ Am ] -7.7881 a [ Cm ] -8.6102 a [ Bk ] -9.3381 a [ Cf ] -9.7799 a + +save_ + +save_dispersion_imag_fe + + _units.code none + + loop_ + _enumeration_source.id + _enumeration_source.reference + a 'International Tables Vol. C Table 4.2.6.8 3rd ed.' + + loop_ + _enumeration_defaults.index + _enumeration_defaults.value + _enumeration_defaults.source_id + [ H ] 0.0000 a [ D ] 0.0000 a [ He ] 0.0000 a [ Li ] 0.0006 a [ Be ] 0.0023 a + [ B ] 0.0065 a [ C ] 0.0148 a [ N ] 0.0293 a [ O ] 0.0518 a [ F ] 0.0851 a + [ Ne ] 0.1318 a [ Na ] 0.1957 a [ Mg ] 0.2765 a [ Al ] 0.3807 a [ Si ] 0.5081 a + [ P ] 0.6628 a [ S ] 0.8457 a [ Cl ] 1.0596 a [ Ar ] 1.3087 a [ K ] 1.5888 a + [ Ca ] 1.9032 a [ Sc ] 2.2557 a [ Ti ] 2.6425 a [ V ] 3.0644 a [ Cr ] 3.5251 a + [ Mn ] 0.4798 a [ Fe ] 0.5649 a [ Co ] 0.6602 a [ Ni ] 0.7671 a [ Cu ] 0.8864 a + [ Zn ] 1.0193 a [ Ga ] 1.1663 a [ Ge ] 1.3291 a [ As ] 1.5069 a [ Se ] 1.7027 a + [ Br ] 1.9140 a [ Kr ] 2.1472 a [ Rb ] 2.3960 a [ Sr ] 2.7060 a [ Y ] 3.0054 a + [ Zr ] 3.3301 a [ Nb ] 3.6768 a [ Mo ] 4.0388 a [ Tc ] 4.4331 a [ Ru ] 4.8540 a + [ Rh ] 5.2985 a [ Pd ] 5.7719 a [ Ag ] 6.2709 a [ Cd ] 6.8017 a [ In ] 7.3594 a + [ Sn ] 7.9473 a [ Sb ] 8.5620 a [ Te ] 9.2067 a [ I ] 9.8852 a [ Xe ] 10.5776 a + [ Cs ] 11.2902 a [ Ba ] 12.0003 a [ La ] 12.8927 a [ Ce ] 11.8734 a [ Pr ] 9.2394 a + [ Nd ] 9.9814 a [ Pm ] 3.6278 a [ Sm ] 3.8839 a [ Eu ] 4.1498 a [ Gd ] 4.4280 a + [ Tb ] 4.7292 a [ Dy ] 5.0280 a [ Ho ] 5.3451 a [ Er ] 5.6776 a [ Tm ] 6.0249 a + [ Yb ] 6.3813 a [ Lu ] 6.7484 a [ Hf ] 7.1518 a [ Ta ] 7.5686 a [ W ] 8.0005 a + [ Re ] 8.4435 a [ Os ] 8.9067 a [ Ir ] 9.3923 a [ Pt ] 9.8985 a [ Au ] 10.4202 a + [ Hg ] 10.9650 a [ Tl ] 11.5300 a [ Pb ] 12.1106 a [ Bi ] 12.7017 a [ Po ] 13.3329 a + [ At ] 13.9709 a [ Rn ] 14.6313 a [ Fr ] 15.3016 a [ Ra ] 15.9778 a [ Ac ] 16.6687 a + [ Th ] 17.4018 a [ Pa ] 18.1406 a [ U ] 18.8728 a [ Np ] 19.6379 a [ Pu ] 20.1548 a + [ Am ] 21.1738 a [ Cm ] 21.8880 a [ Bk ] 21.9514 a [ Cf ] 22.4858 a + +save_ + +save_dispersion_real_co + + _units.code none + + loop_ + _enumeration_source.id + _enumeration_source.reference + a 'International Tables Vol. C Table 4.2.6.8 3rd ed.' + + loop_ + _enumeration_defaults.index + _enumeration_defaults.value + _enumeration_defaults.source_id + [ H ] 0.0000 a [ D ] 0.0000 a [ He ] 0.0000 a [ Li ] 0.0013 a [ Be ] 0.0052 a + [ B ] 0.0121 a [ C ] 0.0237 a [ N ] 0.0403 a [ O ] 0.0630 a [ F ] 0.0920 a + [ Ne ] 0.1273 a [ Na ] 0.1670 a [ Mg ] 0.2094 a [ Al ] 0.2551 a [ Si ] 0.2979 a + [ P ] 0.3388 a [ S ] 0.3706 a [ Cl ] 0.3892 a [ Ar ] 0.3880 a [ K ] 0.3532 a + [ Ca ] 0.2782 a [ Sc ] 0.1474 a [ Ti ] -0.0617 a [ V ] -0.3871 a [ Cr ] -0.9524 a + [ Mn ] -2.0793 a [ Fe ] -3.3307 a [ Co ] -2.0230 a [ Ni ] -1.5664 a [ Cu ] -1.2789 a + [ Zn ] -1.0843 a [ Ga ] -0.9200 a [ Ge ] -0.7781 a [ As ] -0.6523 a [ Se ] -0.5390 a + [ Br ] -0.4363 a [ Kr ] -0.3390 a [ Rb ] -0.2535 a [ Sr ] -0.1448 a [ Y ] -0.0720 a + [ Zr ] -0.0066 a [ Nb ] 0.0496 a [ Mo ] 0.0904 a [ Tc ] 0.1164 a [ Ru ] 0.1331 a + [ Rh ] 0.1305 a [ Pd ] 0.1128 a [ Ag ] 0.0634 a [ Cd ] -0.0214 a [ In ] -0.1473 a + [ Sn ] -0.3097 a [ Sb ] -0.5189 a [ Te ] -0.7914 a [ I ] -1.1275 a [ Xe ] -1.5532 a + [ Cs ] -2.1433 a [ Ba ] -2.7946 a [ La ] -3.6566 a [ Ce ] -4.8792 a [ Pr ] -6.7923 a + [ Nd ] -8.1618 a [ Pm ] -10.0720 a [ Sm ] -10.2609 a [ Eu ] -13.5405 a [ Gd ] -9.3863 a + [ Tb ] -8.0413 a [ Dy ] -7.1503 a [ Ho ] -6.5338 a [ Er ] -6.0673 a [ Tm ] -5.6969 a + [ Yb ] -5.3940 a [ Lu ] -5.1360 a [ Hf ] -4.9466 a [ Ta ] -4.7389 a [ W ] -4.5529 a + [ Re ] -4.4020 a [ Os ] -4.2711 a [ Ir ] -4.1463 a [ Pt ] -4.0461 a [ Au ] -3.9461 a + [ Hg ] -3.8921 a [ Tl ] -3.8340 a [ Pb ] -3.8236 a [ Bi ] -3.8408 a [ Po ] -3.8855 a + [ At ] -3.9706 a [ Rn ] -4.0549 a [ Fr ] -4.1818 a [ Ra ] -4.3309 a [ Ac ] -4.5270 a + [ Th ] -4.7310 a [ Pa ] -4.9639 a [ U ] -5.2392 a [ Np ] -5.5633 a [ Pu ] -5.8130 a + [ Am ] -6.2920 a [ Cm ] -6.7506 a [ Bk ] -7.4293 a [ Cf ] -7.8616 a + +save_ + +save_dispersion_imag_co + + _units.code none + + loop_ + _enumeration_source.id + _enumeration_source.reference + a 'International Tables Vol. C Table 4.2.6.8 3rd ed.' + + loop_ + _enumeration_defaults.index + _enumeration_defaults.value + _enumeration_defaults.source_id + [ H ] 0.0000 a [ D ] 0.0000 a [ He ] 0.0000 a [ Li ] 0.0005 a [ Be ] 0.0019 a + [ B ] 0.0055 a [ C ] 0.0125 a [ N ] 0.0248 a [ O ] 0.0440 a [ F ] 0.0725 a + [ Ne ] 0.1126 a [ Na ] 0.1667 a [ Mg ] 0.2373 a [ Al ] 0.3276 a [ Si ] 0.4384 a + [ P ] 0.5731 a [ S ] 0.7329 a [ Cl ] 0.9202 a [ Ar ] 1.1388 a [ K ] 1.3865 a + [ Ca ] 0.6648 a [ Sc ] 1.9774 a [ Ti ] 2.3213 a [ V ] 2.6994 a [ Cr ] 3.1130 a + [ Mn ] 3.5546 a [ Fe ] 0.4901 a [ Co ] 0.5731 a [ Ni ] 0.6662 a [ Cu ] 0.7700 a + [ Zn ] 0.8857 a [ Ga ] 1.0138 a [ Ge ] 1.1557 a [ As ] 1.3109 a [ Se ] 1.4821 a + [ Br ] 1.6673 a [ Kr ] 1.8713 a [ Rb ] 2.0893 a [ Sr ] 2.3614 a [ Y ] 2.6241 a + [ Zr ] 2.9086 a [ Nb ] 3.2133 a [ Mo ] 3.5326 a [ Tc ] 3.8799 a [ Ru ] 4.2509 a + [ Rh ] 4.6432 a [ Pd ] 5.0613 a [ Ag ] 5.5027 a [ Cd ] 5.9728 a [ In ] 6.4674 a + [ Sn ] 6.9896 a [ Sb ] 7.5367 a [ Te ] 8.1113 a [ I ] 8.7159 a [ Xe ] 9.3585 a + [ Cs ] 10.0454 a [ Ba ] 10.7091 a [ La ] 11.4336 a [ Ce ] 12.1350 a [ Pr ] 12.8653 a + [ Nd ] 11.9121 a [ Pm ] 9.2324 a [ Sm ] 9.9412 a [ Eu ] 3.6550 a [ Gd ] 3.9016 a + [ Tb ] 4.1674 a [ Dy ] 4.4320 a [ Ho ] 4.7129 a [ Er ] 5.0074 a [ Tm ] 5.3151 a + [ Yb ] 5.6309 a [ Lu ] 5.9574 a [ Hf ] 6.3150 a [ Ta ] 6.6850 a [ W ] 7.0688 a + [ Re ] 7.4631 a [ Os ] 7.8753 a [ Ir ] 8.3074 a [ Pt ] 8.7578 a [ Au ] 9.2222 a + [ Hg ] 9.7076 a [ Tl ] 10.2108 a [ Pb ] 10.7292 a [ Bi ] 11.2575 a [ Po ] 11.8209 a + [ At ] 12.3915 a [ Rn ] 12.9815 a [ Fr ] 13.5825 a [ Ra ] 14.1902 a [ Ac ] 14.8096 a + [ Th ] 15.4642 a [ Pa ] 16.1295 a [ U ] 16.7952 a [ Np ] 17.4837 a [ Pu ] 17.9579 a + [ Am ] 18.8618 a [ Cm ] 19.5119 a [ Bk ] 20.3581 a [ Cf ] 20.8536 a + +save_ save_dispersion_real_cu _units.code none + loop_ + _enumeration_source.id + _enumeration_source.reference + a 'International Tables Vol. C Table 4.2.6.8 3rd ed.' + loop_ _enumeration_defaults.index _enumeration_defaults.value - [ H ] 0.0 [ D ] 0.0 [ He ] 0.0 [ Li ] 0.001 [ Be ] 0.003 - [ B ] 0.008 [ C ] 0.017 [ N ] 0.029 [ O ] 0.047 [ F ] 0.069 - [ Ne ] 0.097 [ Na ] 0.129 [ Mg ] 0.165 [ Al ] 0.204 [ Si ] 0.244 - [ P ] 0.283 [ S ] 0.319 [ Cl ] 0.348 [ Ar ] 0.366 [ K ] 0.365 - [ Ca ] 0.341 [ Sc ] 0.285 [ Ti ] 0.189 [ V ] 0.035 [ Cr ] -0.198 - [ Mn ] -0.568 [ Fe ] -1.179 [ Co ] -2.464 [ Ni ] -2.956 [ Cu ] -2.019 - [ Zn ] -1.612 [ Ga ] -1.354 [ Ge ] -1.163 [ As ] -1.011 [ Se ] -0.879 - [ Br ] -0.767 [ Kr ] -0.665 [ Rb ] -0.574 [ Sr ] -0.465 [ Y ] -0.386 - [ Zr ] -0.314 [ Nb ] -0.248 [ Mo ] -0.191 [ Tc ] -0.145 [ Ru ] -0.105 - [ Rh ] -0.077 [ Pd ] -0.059 [ Ag ] -0.06 [ Cd ] -0.079 [ In ] -0.126 - [ Sn ] -0.194 [ Sb ] -0.287 [ Te ] -0.418 [ I ] -0.579 [ Xe ] -0.783 - [ Cs ] -1.022 [ Ba ] -1.334 [ La ] -1.716 [ Ce ] -2.17 [ Pr ] -2.939 - [ Nd ] -3.431 [ Pm ] -4.357 [ Sm ] -5.696 [ Eu ] -7.718 [ Gd ] -9.242 - [ Tb ] -9.498 [ Dy ] -10.423 [ Ho ] -12.255 [ Er ] -9.733 [ Tm ] -8.488 - [ Yb ] -7.701 [ Lu ] -7.133 [ Hf ] -6.715 [ Ta ] -6.351 [ W ] -6.048 - [ Re ] -5.79 [ Os ] -5.581 [ Ir ] -5.391 [ Pt ] -5.233 [ Au ] -5.096 - [ Hg ] -4.99 [ Tl ] -4.883 [ Pb ] -4.818 [ Bi ] -4.776 [ Po ] -4.756 - [ At ] -4.772 [ Rn ] -4.787 [ Fr ] -4.833 [ Ra ] -4.898 [ Ac ] -4.994 - [ Th ] -5.091 [ Pa ] -5.216 [ U ] -5.359 [ Np ] -5.529 [ Pu ] -5.712 - [ Am ] -5.93 [ Cm ] -6.176 [ Bk ] -6.498 [ Cf ] -6.798 + _enumeration_defaults.source_id + [ H ] 0.0000 a [ D ] 0.0000 a [ He ] 0.0000 a [ Li ] 0.0008 a [ Be ] 0.0038 a + [ B ] 0.0090 a [ C ] 0.0181 a [ N ] 0.0311 a [ O ] 0.0492 a [ F ] 0.0727 a + [ Ne ] 0.1019 a [ Na ] 0.1353 a [ Mg ] 0.1719 a [ Al ] 0.2130 a [ Si ] 0.2541 a + [ P ] 0.2955 a [ S ] 0.3331 a [ Cl ] 0.3639 a [ Ar ] 0.3843 a [ K ] 0.3868 a + [ Ca ] 0.3641 a [ Sc ] 0.3119 a [ Ti ] 0.2191 a [ V ] 0.0687 a [ Cr ] -0.1635 a + [ Mn ] -0.5299 a [ Fe ] -1.1336 a [ Co ] -2.3653 a [ Ni ] -3.0029 a [ Cu ] -1.9646 a + [ Zn ] -1.5491 a [ Ga ] -1.2846 a [ Ge ] -1.0885 a [ As ] -0.9300 a [ Se ] -0.7943 a + [ Br ] -0.6763 a [ Kr ] -0.5657 a [ Rb ] -0.4688 a [ Sr ] -0.3528 a [ Y ] -0.2670 a + [ Zr ] -0.1862 a [ Nb ] -0.1121 a [ Mo ] -0.0483 a [ Tc ] 0.0057 a [ Ru ] 0.0552 a + [ Rh ] 0.0927 a [ Pd ] 0.1215 a [ Ag ] 0.1306 a [ Cd ] 0.1185 a [ In ] 0.0822 a + [ Sn ] 0.0259 a [ Sb ] -0.0562 a [ Te ] -0.1759 a [ I ] -0.3257 a [ Xe ] -0.5179 a + [ Cs ] -0.7457 a [ Ba ] -1.0456 a [ La ] -1.4094 a [ Ce ] -1.8482 a [ Pr ] -2.4164 a + [ Nd ] -3.1807 a [ Pm ] -4.0598 a [ Sm ] -5.3236 a [ Eu ] -8.9294 a [ Gd ] -8.8380 a + [ Tb ] -9.1472 a [ Dy ] -9.8046 a [ Ho ] -14.9734 a [ Er ] -9.4367 a [ Tm ] -8.0393 a + [ Yb ] -7.2108 a [ Lu ] -6.6179 a [ Hf ] -6.1794 a [ Ta ] -5.7959 a [ W ] -5.4734 a + [ Re ] -5.2083 a [ Os ] -4.9801 a [ Ir ] -4.7710 a [ Pt ] -4.5932 a [ Au ] -4.4197 a + [ Hg ] -4.2923 a [ Tl ] -4.1627 a [ Pb ] -4.0753 a [ Bi ] -4.0111 a [ Po ] -3.9670 a + [ At ] -3.9588 a [ Rn ] -3.9487 a [ Fr ] -3.9689 a [ Ra ] -4.0088 a [ Ac ] -4.0794 a + [ Th ] -4.1491 a [ Pa ] -4.2473 a [ U ] -4.3638 a [ Np ] -4.5053 a [ Pu ] -4.6563 a + [ Am ] -4.8483 a [ Cm ] -5.0611 a [ Bk ] -5.3481 a [ Cf ] -5.5545 a save_ @@ -1235,29 +1528,35 @@ save_dispersion_imag_cu _units.code none + loop_ + _enumeration_source.id + _enumeration_source.reference + a 'International Tables Vol. C Table 4.2.6.8 3rd ed.' + loop_ _enumeration_defaults.index _enumeration_defaults.value - [ H ] 0.0 [ D ] 0.0 [ He ] 0.0 [ Li ] 0.0 [ Be ] 0.001 - [ B ] 0.004 [ C ] 0.009 [ N ] 0.018 [ O ] 0.032 [ F ] 0.053 - [ Ne ] 0.083 [ Na ] 0.124 [ Mg ] 0.177 [ Al ] 0.246 [ Si ] 0.33 - [ P ] 0.434 [ S ] 0.557 [ Cl ] 0.702 [ Ar ] 0.872 [ K ] 1.066 - [ Ca ] 1.286 [ Sc ] 1.533 [ Ti ] 1.807 [ V ] 2.11 [ Cr ] 2.443 - [ Mn ] 2.808 [ Fe ] 3.204 [ Co ] 3.608 [ Ni ] 0.509 [ Cu ] 0.589 - [ Zn ] 0.678 [ Ga ] 0.777 [ Ge ] 0.886 [ As ] 1.006 [ Se ] 1.139 - [ Br ] 1.283 [ Kr ] 1.439 [ Rb ] 1.608 [ Sr ] 1.82 [ Y ] 2.025 - [ Zr ] 2.245 [ Nb ] 2.482 [ Mo ] 2.735 [ Tc ] 3.005 [ Ru ] 3.296 - [ Rh ] 3.605 [ Pd ] 3.934 [ Ag ] 4.282 [ Cd ] 4.653 [ In ] 5.045 - [ Sn ] 5.459 [ Sb ] 5.894 [ Te ] 6.352 [ I ] 6.835 [ Xe ] 7.348 - [ Cs ] 7.904 [ Ba ] 8.46 [ La ] 9.036 [ Ce ] 9.648 [ Pr ] 10.535 - [ Nd ] 10.933 [ Pm ] 11.614 [ Sm ] 12.32 [ Eu ] 11.276 [ Gd ] 11.946 - [ Tb ] 9.242 [ Dy ] 9.748 [ Ho ] 3.704 [ Er ] 3.937 [ Tm ] 4.181 - [ Yb ] 4.432 [ Lu ] 4.693 [ Hf ] 4.977 [ Ta ] 5.271 [ W ] 5.577 - [ Re ] 5.891 [ Os ] 6.221 [ Ir ] 6.566 [ Pt ] 6.925 [ Au ] 7.297 - [ Hg ] 7.686 [ Tl ] 8.089 [ Pb ] 8.505 [ Bi ] 8.93 [ Po ] 9.383 - [ At ] 9.843 [ Rn ] 10.317 [ Fr ] 10.803 [ Ra ] 11.296 [ Ac ] 11.799 - [ Th ] 12.33 [ Pa ] 12.868 [ U ] 13.409 [ Np ] 13.967 [ Pu ] 14.536 - [ Am ] 15.087 [ Cm ] 15.634 [ Bk ] 16.317 [ Cf ] 16.93 + _enumeration_defaults.source_id + [ H ] 0.0000 a [ D ] 0.0000 a [ He ] 0.0000 a [ Li ] 0.0003 a [ Be ] 0.0014 a + [ B ] 0.0039 a [ C ] 0.0091 a [ N ] 0.0180 a [ O ] 0.0322 a [ F ] 0.0534 a + [ Ne ] 0.0833 a [ Na ] 0.1239 a [ Mg ] 0.1771 a [ Al ] 0.2455 a [ Si ] 0.3302 a + [ P ] 0.4335 a [ S ] 0.5567 a [ Cl ] 0.7018 a [ Ar ] 0.8717 a [ K ] 1.0657 a + [ Ca ] 1.2855 a [ Sc ] 1.5331 a [ Ti ] 1.8069 a [ V ] 2.1097 a [ Cr ] 2.4439 a + [ Mn ] 2.8052 a [ Fe ] 3.1974 a [ Co ] 3.6143 a [ Ni ] 0.5091 a [ Cu ] 0.5888 a + [ Zn ] 0.6778 a [ Ga ] 0.7763 a [ Ge ] 0.8855 a [ As ] 1.0051 a [ Se ] 1.1372 a + [ Br ] 1.2805 a [ Kr ] 1.4385 a [ Rb ] 1.6079 a [ Sr ] 1.8200 a [ Y ] 2.0244 a + [ Zr ] 2.2449 a [ Nb ] 2.4826 a [ Mo ] 2.7339 a [ Tc ] 3.0049 a [ Ru ] 3.2960 a + [ Rh ] 3.6045 a [ Pd ] 3.9337 a [ Ag ] 4.2820 a [ Cd ] 4.6533 a [ In ] 5.0449 a + [ Sn ] 5.4591 a [ Sb ] 5.8946 a [ Te ] 6.3531 a [ I ] 6.8362 a [ Xe ] 7.3500 a + [ Cs ] 7.9052 a [ Ba ] 8.4617 a [ La ] 9.0376 a [ Ce ] 9.6596 a [ Pr ] 10.2820 a + [ Nd ] 10.9079 a [ Pm ] 11.5523 a [ Sm ] 12.2178 a [ Eu ] 11.1857 a [ Gd ] 11.9157 a + [ Tb ] 9.1891 a [ Dy ] 9.8477 a [ Ho ] 3.7046 a [ Er ] 3.9380 a [ Tm ] 4.1821 a + [ Yb ] 4.4329 a [ Lu ] 4.6937 a [ Hf ] 4.9776 a [ Ta ] 5.2718 a [ W ] 5.5774 a + [ Re ] 5.8923 a [ Os ] 6.2216 a [ Ir ] 6.5667 a [ Pt ] 6.9264 a [ Au ] 7.2980 a + [ Hg ] 7.6849 a [ Tl ] 8.0900 a [ Pb ] 8.5060 a [ Bi ] 8.9310 a [ Po ] 9.3834 a + [ At ] 9.8433 a [ Rn ] 10.3181 a [ Fr ] 10.8038 a [ Ra ] 11.2969 a [ Ac ] 11.7994 a + [ Th ] 12.3296 a [ Pa ] 12.8681 a [ U ] 13.4090 a [ Np ] 13.9666 a [ Pu ] 14.3729 a + [ Am ] 15.0877 a [ Cm ] 15.6355 a [ Bk ] 16.3190 a [ Cf ] 16.7428 a save_ @@ -1265,29 +1564,35 @@ save_dispersion_real_mo _units.code none + loop_ + _enumeration_source.id + _enumeration_source.reference + a 'International Tables Vol. C Table 4.2.6.8 3rd ed.' + loop_ _enumeration_defaults.index _enumeration_defaults.value - [ H ] 0.0 [ D ] 0.0 [ He ] 0.0 [ Li ] 0.0 [ Be ] 0.0 - [ B ] 0.0 [ C ] 0.002 [ N ] 0.004 [ O ] 0.008 [ F ] 0.014 - [ Ne ] 0.021 [ Na ] 0.03 [ Mg ] 0.042 [ Al ] 0.056 [ Si ] 0.072 - [ P ] 0.09 [ S ] 0.11 [ Cl ] 0.132 [ Ar ] 0.155 [ K ] 0.179 - [ Ca ] 0.203 [ Sc ] 0.226 [ Ti ] 0.248 [ V ] 0.267 [ Cr ] 0.284 - [ Mn ] 0.295 [ Fe ] 0.301 [ Co ] 0.299 [ Ni ] 0.285 [ Cu ] 0.263 - [ Zn ] 0.222 [ Ga ] 0.163 [ Ge ] 0.081 [ As ] -0.03 [ Se ] -0.178 - [ Br ] -0.374 [ Kr ] -0.652 [ Rb ] -1.044 [ Sr ] -1.657 [ Y ] -2.951 - [ Zr ] -2.965 [ Nb ] -2.197 [ Mo ] -1.825 [ Tc ] -1.59 [ Ru ] -1.42 - [ Rh ] -1.287 [ Pd ] -1.177 [ Ag ] -1.085 [ Cd ] -1.005 [ In ] -0.936 - [ Sn ] -0.873 [ Sb ] -0.816 [ Te ] -0.772 [ I ] -0.726 [ Xe ] -0.684 - [ Cs ] -0.644 [ Ba ] -0.613 [ La ] -0.588 [ Ce ] -0.564 [ Pr ] -0.53 - [ Nd ] -0.535 [ Pm ] -0.53 [ Sm ] -0.533 [ Eu ] -0.542 [ Gd ] -0.564 - [ Tb ] -0.591 [ Dy ] -0.619 [ Ho ] -0.666 [ Er ] -0.723 [ Tm ] -0.795 - [ Yb ] -0.884 [ Lu ] -0.988 [ Hf ] -1.118 [ Ta ] -1.258 [ W ] -1.421 - [ Re ] -1.598 [ Os ] -1.816 [ Ir ] -2.066 [ Pt ] -2.352 [ Au ] -2.688 - [ Hg ] -3.084 [ Tl ] -3.556 [ Pb ] -4.133 [ Bi ] -4.861 [ Po ] -5.924 - [ At ] -7.444 [ Rn ] -8.862 [ Fr ] -7.912 [ Ra ] -7.62 [ Ac ] -7.725 - [ Th ] -8.127 [ Pa ] -8.96 [ U ] -10.673 [ Np ] -11.158 [ Pu ] -9.725 - [ Am ] -8.926 [ Cm ] -8.416 [ Bk ] -7.99 [ Cf ] -7.683 + _enumeration_defaults.source_id + [ H ] 0.0000 a [ D ] 0.0000 a [ He ] 0.0000 a [ Li ] -0.0003 a [ Be ] 0.0005 a + [ B ] 0.0013 a [ C ] 0.0033 a [ N ] 0.0061 a [ O ] 0.0106 a [ F ] 0.0171 a + [ Ne ] 0.0259 a [ Na ] 0.0362 a [ Mg ] 0.0486 a [ Al ] 0.0645 a [ Si ] 0.0817 a + [ P ] 0.1023 a [ S ] 0.1246 a [ Cl ] 0.1484 a [ Ar ] 0.1743 a [ K ] 0.2009 a + [ Ca ] 0.2262 a [ Sc ] 0.2519 a [ Ti ] 0.2776 a [ V ] 0.3005 a [ Cr ] 0.3209 a + [ Mn ] 0.3368 a [ Fe ] 0.3463 a [ Co ] 0.3494 a [ Ni ] 0.3393 a [ Cu ] 0.3201 a + [ Zn ] 0.2839 a [ Ga ] 0.2307 a [ Ge ] 0.1547 a [ As ] 0.0499 a [ Se ] -0.0929 a + [ Br ] -0.2901 a [ Kr ] -0.5574 a [ Rb ] -0.9393 a [ Sr ] -1.5307 a [ Y ] -2.7962 a + [ Zr ] -2.9673 a [ Nb ] -2.0727 a [ Mo ] -1.6832 a [ Tc ] -1.4390 a [ Ru ] -1.2594 a + [ Rh ] -1.1178 a [ Pd ] -0.9988 a [ Ag ] -0.8971 a [ Cd ] -0.8075 a [ In ] -0.7276 a + [ Sn ] -0.6537 a [ Sb ] -0.5866 a [ Te ] -0.5308 a [ I ] -0.4742 a [ Xe ] -0.4205 a + [ Cs ] -0.3680 a [ Ba ] -0.3244 a [ La ] -0.2871 a [ Ce ] -0.2486 a [ Pr ] -0.2180 a + [ Nd ] -0.1943 a [ Pm ] -0.1753 a [ Sm ] -0.1638 a [ Eu ] -0.1578 a [ Gd ] -0.1653 a + [ Tb ] -0.1723 a [ Dy ] -0.1892 a [ Ho ] -0.2175 a [ Er ] -0.2586 a [ Tm ] -0.3139 a + [ Yb ] -0.3850 a [ Lu ] -0.4720 a [ Hf ] -0.5830 a [ Ta ] -0.7052 a [ W ] -0.8490 a + [ Re ] -1.0185 a [ Os ] -1.2165 a [ Ir ] -1.4442 a [ Pt ] -1.7033 a [ Au ] -2.0133 a + [ Hg ] -2.3894 a [ Tl ] -2.8358 a [ Pb ] -3.3944 a [ Bi ] -4.1077 a [ Po ] -5.1210 a + [ At ] -7.9122 a [ Rn ] -8.0659 a [ Fr ] -7.2224 a [ Ra ] -6.7704 a [ Ac ] -6.8494 a + [ Th ] -7.2400 a [ Pa ] -8.0334 a [ U ] -9.6767 a [ Np ] 11.4937 a [ Pu ] -9.4100 a + [ Am ] -7.8986 a [ Cm ] -7.3248 a [ Bk ] -6.8498 a [ Cf ] -6.6561 a save_ @@ -1295,32 +1600,325 @@ save_dispersion_imag_mo _units.code none + loop_ + _enumeration_source.id + _enumeration_source.reference + a 'International Tables Vol. C Table 4.2.6.8 3rd ed.' + + loop_ + _enumeration_defaults.index + _enumeration_defaults.value + _enumeration_defaults.source_id + [ H ] 0.0000 a [ D ] 0.0000 a [ He ] 0.0000 a [ Li ] 0.0001 a [ Be ] 0.0002 a + [ B ] 0.0007 a [ C ] 0.0016 a [ N ] 0.0033 a [ O ] 0.0060 a [ F ] 0.0103 a + [ Ne ] 0.0164 a [ Na ] 0.0249 a [ Mg ] 0.0363 a [ Al ] 0.0514 a [ Si ] 0.0704 a + [ P ] 0.0942 a [ S ] 0.1234 a [ Cl ] 0.1585 a [ Ar ] 0.2003 a [ K ] 0.2494 a + [ Ca ] 0.3064 a [ Sc ] 0.3716 a [ Ti ] 0.4457 a [ V ] 0.5294 a [ Cr ] 0.6236 a + [ Mn ] 0.7283 a [ Fe ] 0.8444 a [ Co ] 0.9721 a [ Ni ] 1.1124 a [ Cu ] 1.2651 a + [ Zn ] 1.4301 a [ Ga ] 1.6083 a [ Ge ] 1.8001 a [ As ] 2.0058 a [ Se ] 2.2259 a + [ Br ] 2.4595 a [ Kr ] 2.7079 a [ Rb ] 2.9676 a [ Sr ] 3.2498 a [ Y ] 3.5667 a + [ Zr ] 0.5597 a [ Nb ] 0.6215 a [ Mo ] 0.6857 a [ Tc ] 0.7593 a [ Ru ] 0.8363 a + [ Rh ] 0.9187 a [ Pd ] 1.0072 a [ Ag ] 1.1015 a [ Cd ] 1.2024 a [ In ] 1.3100 a + [ Sn ] 1.4246 a [ Sb ] 1.5461 a [ Te ] 1.6751 a [ I ] 1.8119 a [ Xe ] 1.9578 a + [ Cs ] 2.1192 a [ Ba ] 2.2819 a [ La ] 2.4523 a [ Ce ] 2.6331 a [ Pr ] 2.8214 a + [ Nd ] 3.0179 a [ Pm ] 3.2249 a [ Sm ] 3.4418 a [ Eu ] 3.6682 a [ Gd ] 3.9035 a + [ Tb ] 4.1537 a [ Dy ] 4.4098 a [ Ho ] 4.6783 a [ Er ] 4.9576 a [ Tm ] 5.2483 a + [ Yb ] 5.5486 a [ Lu ] 5.8584 a [ Hf ] 6.1852 a [ Ta ] 6.5227 a [ W ] 6.8722 a + [ Re ] 7.2310 a [ Os ] 7.6030 a [ Ir ] 7.9887 a [ Pt ] 8.3905 a [ Au ] 8.8022 a + [ Hg ] 9.2266 a [ Tl ] 9.6688 a [ Pb ] 10.1111 a [ Bi ] 10.2566 a [ Po ] 11.0496 a + [ At ] 9.9777 a [ Rn ] 10.4580 a [ Fr ] 7.7847 a [ Ra ] 8.1435 a [ Ac ] 8.5178 a + [ Th ] 8.8979 a [ Pa ] 9.2807 a [ U ] 9.6646 a [ Np ] 4.1493 a [ Pu ] 4.3056 a + [ Am ] 4.5125 a [ Cm ] 4.6980 a [ Bk ] 4.9086 a [ Cf ] 5.0785 a + +save_ + +save_dispersion_real_ag + + _units.code none + + loop_ + _enumeration_source.id + _enumeration_source.reference + a 'International Tables Vol. C Table 4.2.6.8 3rd ed.' + + loop_ + _enumeration_defaults.index + _enumeration_defaults.value + _enumeration_defaults.source_id + [ H ] 0.0000 a [ D ] 0.0000 a [ He ] 0.0000 a [ Li ] -0.0004 a [ Be ] 0.0001 a + [ B ] 0.0004 a [ C ] 0.0015 a [ N ] 0.0030 a [ O ] 0.0056 a [ F ] 0.0096 a + [ Ne ] 0.0152 a [ Na ] 0.0218 a [ Mg ] 0.0298 a [ Al ] 0.0406 a [ Si ] 0.0522 a + [ P ] 0.0667 a [ S ] 0.0826 a [ Cl ] 0.0998 a [ Ar ] 0.1191 a [ K ] 0.1399 a + [ Ca ] 0.1611 a [ Sc ] 0.1829 a [ Ti ] 0.2060 a [ V ] 0.2276 a [ Cr ] 0.2496 a + [ Mn ] 0.2704 a [ Fe ] 0.2886 a [ Co ] 0.3050 a [ Ni ] 0.3147 a [ Cu ] 0.3240 a + [ Zn ] 0.3242 a [ Ga ] 0.3179 a [ Ge ] 0.3016 a [ As ] 0.2758 a [ Se ] 0.2367 a + [ Br ] 0.1811 a [ Kr ] 0.1067 a [ Rb ] 0.0068 a [ Sr ] -0.1172 a [ Y ] -0.2879 a + [ Zr ] -0.5364 a [ Nb ] -0.8282 a [ Mo ] -1.2703 a [ Tc ] -2.0087 a [ Ru ] -5.3630 a + [ Rh ] -2.5280 a [ Pd ] -1.9556 a [ Ag ] -1.6473 a [ Cd ] -1.4396 a [ In ] -1.2843 a + [ Sn ] -1.1587 a [ Sb ] -1.0547 a [ Te ] -0.9710 a [ I ] -0.8919 a [ Xe ] -0.8200 a + [ Cs ] -0.7527 a [ Ba ] -0.6940 a [ La ] -0.6411 a [ Ce ] -0.5890 a [ Pr ] -0.5424 a + [ Nd ] -0.5012 a [ Pm ] -0.4626 a [ Sm ] -0.4287 a [ Eu ] -0.3977 a [ Gd ] -0.3741 a + [ Tb ] -0.3496 a [ Dy ] -0.3302 a [ Ho ] -0.3168 a [ Er ] -0.3091 a [ Tm ] -0.3084 a + [ Yb ] -0.3157 a [ Lu ] -0.3299 a [ Hf ] -0.3548 a [ Ta ] -0.3831 a [ W ] -0.4201 a + [ Re ] -0.4693 a [ Os ] -0.5280 a [ Ir ] -0.5977 a [ Pt ] -0.6812 a [ Au ] -0.7638 a + [ Hg ] -0.8801 a [ Tl ] -1.0117 a [ Pb ] -1.1676 a [ Bi ] -1.3494 a [ Po ] -1.5613 a + [ At ] -1.8039 a [ Rn ] -2.0847 a [ Fr ] -2.4129 a [ Ra ] -2.8081 a [ Ac ] -3.2784 a + [ Th ] -3.8533 a [ Pa ] -4.6067 a [ U ] -5.7225 a [ Np ] -6.9995 a [ Pu ] -13.5905 a + [ Am ] -6.7022 a [ Cm ] -6.2891 a [ Bk ] -6.3438 a [ Cf ] -6.4144 a + +save_ + +save_dispersion_imag_ag + + _units.code none + + loop_ + _enumeration_source.id + _enumeration_source.reference + a 'International Tables Vol. C Table 4.2.6.8 3rd ed.' + loop_ _enumeration_defaults.index _enumeration_defaults.value - [ H ] 0.0 [ D ] 0.0 [ He ] 0.0 [ Li ] 0.0 [ Be ] 0.0 - [ B ] 0.001 [ C ] 0.002 [ N ] 0.003 [ O ] 0.006 [ F ] 0.01 - [ Ne ] 0.016 [ Na ] 0.025 [ Mg ] 0.036 [ Al ] 0.052 [ Si ] 0.071 - [ P ] 0.095 [ S ] 0.124 [ Cl ] 0.159 [ Ar ] 0.201 [ K ] 0.25 - [ Ca ] 0.306 [ Sc ] 0.372 [ Ti ] 0.446 [ V ] 0.53 [ Cr ] 0.624 - [ Mn ] 0.729 [ Fe ] 0.845 [ Co ] 0.973 [ Ni ] 1.113 [ Cu ] 1.266 - [ Zn ] 1.431 [ Ga ] 1.609 [ Ge ] 1.801 [ As ] 2.007 [ Se ] 2.223 - [ Br ] 2.456 [ Kr ] 2.713 [ Rb ] 2.973 [ Sr ] 3.264 [ Y ] 3.542 - [ Zr ] 0.56 [ Nb ] 0.621 [ Mo ] 0.688 [ Tc ] 0.759 [ Ru ] 0.836 - [ Rh ] 0.919 [ Pd ] 1.007 [ Ag ] 1.101 [ Cd ] 1.202 [ In ] 1.31 - [ Sn ] 1.424 [ Sb ] 1.546 [ Te ] 1.675 [ I ] 1.812 [ Xe ] 1.958 - [ Cs ] 2.119 [ Ba ] 2.282 [ La ] 2.452 [ Ce ] 2.632 [ Pr ] 2.845 - [ Nd ] 3.018 [ Pm ] 3.225 [ Sm ] 3.442 [ Eu ] 3.669 [ Gd ] 3.904 - [ Tb ] 4.151 [ Dy ] 4.41 [ Ho ] 4.678 [ Er ] 4.958 [ Tm ] 5.248 - [ Yb ] 5.548 [ Lu ] 5.858 [ Hf ] 6.185 [ Ta ] 6.523 [ W ] 6.872 - [ Re ] 7.232 [ Os ] 7.605 [ Ir ] 7.99 [ Pt ] 8.388 [ Au ] 8.798 - [ Hg ] 9.223 [ Tl ] 9.659 [ Pb ] 10.102 [ Bi ] 10.559 [ Po ] 11.042 - [ At ] 9.961 [ Rn ] 10.403 [ Fr ] 7.754 [ Ra ] 8.105 [ Ac ] 8.472 - [ Th ] 8.87 [ Pa ] 9.284 [ U ] 9.654 [ Np ] 4.148 [ Pu ] 4.33 - [ Am ] 4.511 [ Cm ] 4.697 [ Bk ] 4.908 [ Cf ] 5.107 + _enumeration_defaults.source_id + [ H ] 0.0000 a [ D ] 0.0000 a [ He ] 0.0000 a [ Li ] 0.0000 a [ Be ] 0.0001 a + [ B ] 0.0004 a [ C ] 0.0009 a [ N ] 0.0019 a [ O ] 0.0036 a [ F ] 0.0061 a + [ Ne ] 0.0098 a [ Na ] 0.0150 a [ Mg ] 0.0220 a [ Al ] 0.0313 a [ Si ] 0.0431 a + [ P ] 0.0580 a [ S ] 0.0763 a [ Cl ] 0.0984 a [ Ar ] 0.1249 a [ K ] 0.1562 a + [ Ca ] 0.1926 a [ Sc ] 0.2348 a [ Ti ] 0.2830 a [ V ] 0.3376 a [ Cr ] 0.3992 a + [ Mn ] 0.4681 a [ Fe ] 0.5448 a [ Co ] 0.6296 a [ Ni ] 0.7232 a [ Cu ] 0.8257 a + [ Zn ] 0.9375 a [ Ga ] 1.0589 a [ Ge ] 1.1903 a [ As ] 1.3314 a [ Se ] 1.4831 a + [ Br ] 1.6452 a [ Kr ] 1.8192 a [ Rb ] 2.0025 a [ Sr ] 2.2025 a [ Y ] 2.4099 a + [ Zr ] 2.6141 a [ Nb ] 2.8404 a [ Mo ] 3.0978 a [ Tc ] 3.3490 a [ Ru ] 3.6506 a + [ Rh ] 0.5964 a [ Pd ] 0.6546 a [ Ag ] 0.7167 a [ Cd ] 0.7832 a [ In ] 0.8542 a + [ Sn ] 0.9299 a [ Sb ] 1.0104 a [ Te ] 1.0960 a [ I ] 1.1868 a [ Xe ] 1.2838 a + [ Cs ] 1.3916 a [ Ba ] 1.5004 a [ La ] 1.6148 a [ Ce ] 1.7358 a [ Pr ] 1.8624 a + [ Nd ] 1.9950 a [ Pm ] 2.1347 a [ Sm ] 2.2815 a [ Eu ] 2.4351 a [ Gd ] 2.5954 a + [ Tb ] 2.7654 a [ Dy ] 2.9404 a [ Ho ] 3.1241 a [ Er ] 3.3158 a [ Tm ] 3.5155 a + [ Yb ] 3.7229 a [ Lu ] 3.9377 a [ Hf ] 4.1643 a [ Ta ] 4.3992 a [ W ] 4.6430 a + [ Re ] 4.8944 a [ Os ] 5.1558 a [ Ir ] 5.4269 a [ Pt ] 5.7081 a [ Au ] 5.9978 a + [ Hg ] 6.2989 a [ Tl ] 6.6090 a [ Pb ] 6.9287 a [ Bi ] 7.2566 a [ Po ] 7.5986 a + [ At ] 7.9509 a [ Rn ] 8.3112 a [ Fr ] 8.6839 a [ Ra ] 9.0614 a [ Ac ] 9.4502 a + [ Th ] 9.8403 a [ Pa ] 10.2413 a [ U ] 10.6428 a [ Np ] 9.5876 a [ Pu ] 6.9468 a + [ Am ] 7.3108 a [ Cm ] 7.6044 a [ Bk ] 7.9477 a [ Cf ] 8.1930 a save_ +save_dispersion_real_ta + + _units.code none + + loop_ + _enumeration_source.id + _enumeration_source.reference + a 'International Tables Vol. C Table 4.2.6.8 3rd ed.' + + loop_ + _enumeration_defaults.index + _enumeration_defaults.value + _enumeration_defaults.source_id + [ H ] 0.0000 a [ D ] 0.0000 a [ He ] 0.0000 a [ Li ] -0.0006 a [ Be ] -0.0005 a + [ B ] -0.0009 a [ C ] -0.0012 a [ N ] -0.0020 a [ O ] -0.0025 a [ F ] -0.0027 a + [ Ne ] -0.0025 a [ Na ] -0.0028 a [ Mg ] -0.0030 a [ Al ] -0.0020 a [ Si ] -0.0017 a + [ P ] -0.0002 a [ S ] 0.0015 a [ Cl ] 0.0032 a [ Ar ] 0.0059 a [ K ] 0.0089 a + [ Ca ] 0.0122 a [ Sc ] 0.0159 a [ Ti ] 0.0212 a [ V ] 0.0259 a [ Cr ] 0.0314 a + [ Mn ] 0.0377 a [ Fe ] 0.0438 a [ Co ] 0.0512 a [ Ni ] 0.0563 a [ Cu ] 0.0647 a + [ Zn ] 0.0722 a [ Ga ] 0.0800 a [ Ge ] 0.0880 a [ As ] 0.0962 a [ Se ] 0.1047 a + [ Br ] 0.1106 a [ Kr ] 0.1180 a [ Rb ] 0.1247 a [ Sr ] 0.1321 a [ Y ] 0.1380 a + [ Zr ] 0.1431 a [ Nb ] 0.1471 a [ Mo ] 0.1487 a [ Tc ] 0.1496 a [ Ru ] 0.1491 a + [ Rh ] 0.1445 a [ Pd ] 0.1387 a [ Ag ] 0.1295 a [ Cd ] 0.1171 a [ In ] 0.1013 a + [ Sn ] 0.0809 a [ Sb ] 0.0559 a [ Te ] 0.0216 a [ I ] -0.0146 a [ Xe ] -0.0565 a + [ Cs ] -0.1070 a [ Ba ] -0.1670 a [ La ] -0.2363 a [ Ce ] -0.3159 a [ Pr ] -0.4096 a + [ Nd ] -0.5194 a [ Pm ] -0.6447 a [ Sm ] -0.7989 a [ Eu ] -0.9903 a [ Gd ] -1.2279 a + [ Tb ] -1.5334 a [ Dy ] -1.9594 a [ Ho ] -2.6705 a [ Er ] -5.5645 a [ Tm ] -2.8957 a + [ Yb ] -2.4144 a [ Lu ] -2.1535 a [ Hf ] -1.9785 a [ Ta ] -1.8534 a [ W ] -1.7565 a + [ Re ] -1.6799 a [ Os ] -1.6170 a [ Ir ] -1.5648 a [ Pt ] -1.5228 a [ Au ] -1.4693 a + [ Hg ] -1.4389 a [ Tl ] -1.4111 a [ Pb ] -1.3897 a [ Bi ] -1.3721 a [ Po ] -1.3584 a + [ At ] -1.3540 a [ Rn ] -1.3475 a [ Fr ] -1.3404 a [ Ra ] -1.3462 a [ Ac ] -1.3473 a + [ Th ] -1.3524 a [ Pa ] -1.3672 a [ U ] -1.3792 a [ Np ] -1.3941 a [ Pu ] -1.4180 a + [ Am ] -1.4359 a [ Cm ] -1.4655 a [ Bk ] -1.4932 a [ Cf ] -1.5323 a + +save_ + +save_dispersion_imag_ta + + _units.code none + + loop_ + _enumeration_source.id + _enumeration_source.reference + a 'International Tables Vol. C Table 4.2.6.8 3rd ed.' + + loop_ + _enumeration_defaults.index + _enumeration_defaults.value + _enumeration_defaults.source_id + [ H ] 0.0000 a [ D ] 0.0000 a [ He ] 0.0000 a [ Li ] 0.0000 a [ Be ] 0.0000 a + [ B ] 0.0000 a [ C ] 0.0001 a [ N ] 0.0002 a [ O ] 0.0004 a [ F ] 0.0007 a + [ Ne ] 0.0012 a [ Na ] 0.0019 a [ Mg ] 0.0028 a [ Al ] 0.0040 a [ Si ] 0.0056 a + [ P ] 0.0077 a [ S ] 0.0103 a [ Cl ] 0.0134 a [ Ar ] 0.0174 a [ K ] 0.0219 a + [ Ca ] 0.0273 a [ Sc ] 0.0338 a [ Ti ] 0.0414 a [ V ] 0.0500 a [ Cr ] 0.0599 a + [ Mn ] 0.0712 a [ Fe ] 0.0840 a [ Co ] 0.0984 a [ Ni ] 0.1146 a [ Cu ] 0.1326 a + [ Zn ] 0.1526 a [ Ga ] 0.1745 a [ Ge ] 0.1987 a [ As ] 0.2252 a [ Se ] 0.2543 a + [ Br ] 0.2858 a [ Kr ] 0.3197 a [ Rb ] 0.3561 a [ Sr ] 0.3964 a [ Y ] 0.4390 a + [ Zr ] 0.4852 a [ Nb ] 0.5342 a [ Mo ] 0.5862 a [ Tc ] 0.6424 a [ Ru ] 0.7016 a + [ Rh ] 0.7639 a [ Pd ] 0.8302 a [ Ag ] 0.9001 a [ Cd ] 0.9741 a [ In ] 1.0519 a + [ Sn ] 1.1337 a [ Sb ] 1.2196 a [ Te ] 1.3095 a [ I ] 1.4037 a [ Xe ] 1.5023 a + [ Cs ] 1.6058 a [ Ba ] 1.7127 a [ La ] 1.8238 a [ Ce ] 1.9398 a [ Pr ] 2.0599 a + [ Nd ] 2.1843 a [ Pm ] 2.3143 a [ Sm ] 2.4510 a [ Eu ] 2.5896 a [ Gd ] 2.7304 a + [ Tb ] 2.8797 a [ Dy ] 3.0274 a [ Ho ] 3.1799 a [ Er ] 0.6167 a [ Tm ] 0.6569 a + [ Yb ] 0.6994 a [ Lu ] 0.7436 a [ Hf ] 0.7905 a [ Ta ] 0.8392 a [ W ] 0.8905 a + [ Re ] 0.9441 a [ Os ] 1.0001 a [ Ir ] 1.0589 a [ Pt ] 1.1193 a [ Au ] 1.1833 a + [ Hg ] 1.2483 a [ Tl ] 1.3189 a [ Pb ] 1.3909 a [ Bi ] 1.4661 a [ Po ] 1.5443 a + [ At ] 1.6260 a [ Rn ] 1.7103 a [ Fr ] 1.7986 a [ Ra ] 1.8891 a [ Ac ] 1.9845 a + [ Th ] 2.0819 a [ Pa ] 2.1835 a [ U ] 2.2876 a [ Np ] 2.3958 a [ Pu ] 2.4979 a + [ Am ] 2.6218 a [ Cm ] 2.7421 a [ Bk ] 2.8653 a [ Cf ] 2.9807 a + +save_ + +save_dispersion_real_w + + _units.code none + + loop_ + _enumeration_source.id + _enumeration_source.reference + a 'International Tables Vol. C Table 4.2.6.8 3rd ed.' + + loop_ + _enumeration_defaults.index + _enumeration_defaults.value + _enumeration_defaults.source_id + [ H ] 0.0000 a [ D ] 0.0000 a [ He ] 0.0000 a [ Li ] -0.0006 a [ Be ] -0.0005 a + [ B ] -0.0009 a [ C ] -0.0013 a [ N ] -0.0020 a [ O ] -0.0026 a [ F ] -0.0028 a + [ Ne ] -0.0028 a [ Na ] -0.0031 a [ Mg ] -0.0034 a [ Al ] -0.0026 a [ Si ] -0.0025 a + [ P ] -0.0012 a [ S ] 0.0003 a [ Cl ] 0.0017 a [ Ar ] 0.0041 a [ K ] 0.0067 a + [ Ca ] 0.0097 a [ Sc ] 0.0130 a [ Ti ] 0.0179 a [ V ] 0.0221 a [ Cr ] 0.0272 a + [ Mn ] 0.0330 a [ Fe ] 0.0386 a [ Co ] 0.0454 a [ Ni ] 0.0500 a [ Cu ] 0.0579 a + [ Zn ] 0.0648 a [ Ga ] 0.0721 a [ Ge ] 0.0796 a [ As ] 0.0873 a [ Se ] 0.0954 a + [ Br ] 0.1026 a [ Kr ] 0.1082 a [ Rb ] 0.1146 a [ Sr ] 0.1219 a [ Y ] 0.1278 a + [ Zr ] 0.1329 a [ Nb ] 0.1371 a [ Mo ] 0.1391 a [ Tc ] 0.1406 a [ Ru ] 0.1409 a + [ Rh ] 0.1373 a [ Pd ] 0.1327 a [ Ag ] 0.1251 a [ Cd ] 0.1147 a [ In ] 0.1012 a + [ Sn ] 0.0839 a [ Sb ] 0.0619 a [ Te ] 0.0316 a [ I ] -0.0001 a [ Xe ] -0.0367 a + [ Cs ] -0.0809 a [ Ba ] -0.1335 a [ La ] -0.1940 a [ Ce ] -0.2633 a [ Pr ] -0.3443 a + [ Nd ] -0.4389 a [ Pm ] -0.5499 a [ Sm ] -0.6734 a [ Eu ] -0.8137 a [ Gd ] -1.0234 a + [ Tb ] -1.2583 a [ Dy ] -1.5632 a [ Ho ] -1.9886 a [ Er ] -2.6932 a [ Tm ] -5.6057 a + [ Yb ] -2.9190 a [ Lu ] -2.4402 a [ Hf ] -2.1778 a [ Ta ] -2.0068 a [ W ] -1.8819 a + [ Re ] -1.7868 a [ Os ] -1.7107 a [ Ir ] -1.6486 a [ Pt ] -1.5998 a [ Au ] -1.5404 a + [ Hg ] -1.5055 a [ Tl ] -1.4740 a [ Pb ] -1.4497 a [ Bi ] -1.4290 a [ Po ] -1.4133 a + [ At ] -1.4066 a [ Rn ] -1.3982 a [ Fr ] -1.3892 a [ Ra ] -1.3931 a [ Ac ] -1.3922 a + [ Th ] -1.3955 a [ Pa ] -1.4083 a [ U ] -1.4184 a [ Np ] -1.4312 a [ Pu ] -1.4527 a + [ Am ] -1.4684 a [ Cm ] -1.4952 a [ Bk ] -1.5203 a [ Cf ] -1.5562 a + +save_ + +save_dispersion_imag_w + + _units.code none + + loop_ + _enumeration_source.id + _enumeration_source.reference + a 'International Tables Vol. C Table 4.2.6.8 3rd ed.' + + loop_ + _enumeration_defaults.index + _enumeration_defaults.value + _enumeration_defaults.source_id + [ H ] 0.0000 a [ D ] 0.0000 a [ He ] 0.0000 a [ Li ] 0.0000 a [ Be ] 0.0000 a + [ B ] 0.0000 a [ C ] 0.0001 a [ N ] 0.0002 a [ O ] 0.0004 a [ F ] 0.0007 a + [ Ne ] 0.0011 a [ Na ] 0.0017 a [ Mg ] 0.0026 a [ Al ] 0.0037 a [ Si ] 0.0052 a + [ P ] 0.0071 a [ S ] 0.0096 a [ Cl ] 0.0125 a [ Ar ] 0.0162 a [ K ] 0.0204 a + [ Ca ] 0.0255 a [ Sc ] 0.0315 a [ Ti ] 0.0387 a [ V ] 0.0468 a [ Cr ] 0.0561 a + [ Mn ] 0.0666 a [ Fe ] 0.0787 a [ Co ] 0.0921 a [ Ni ] 0.1074 a [ Cu ] 0.1242 a + [ Zn ] 0.1430 a [ Ga ] 0.1636 a [ Ge ] 0.1863 a [ As ] 0.2112 a [ Se ] 0.2386 a + [ Br ] 0.2682 a [ Kr ] 0.3003 a [ Rb ] 0.3346 a [ Sr ] 0.3726 a [ Y ] 0.4128 a + [ Zr ] 0.4562 a [ Nb ] 0.5025 a [ Mo ] 0.5517 a [ Tc ] 0.6047 a [ Ru ] 0.6607 a + [ Rh ] 0.7195 a [ Pd ] 0.7822 a [ Ag ] 0.8484 a [ Cd ] 0.9185 a [ In ] 0.9922 a + [ Sn ] 1.0697 a [ Sb ] 1.1512 a [ Te ] 1.2366 a [ I ] 1.3259 a [ Xe ] 1.4195 a + [ Cs ] 1.5179 a [ Ba ] 1.6194 a [ La ] 1.7250 a [ Ce ] 1.8353 a [ Pr ] 1.9496 a + [ Nd ] 2.0679 a [ Pm ] 2.1906 a [ Sm ] 2.3197 a [ Eu ] 2.4526 a [ Gd ] 2.5878 a + [ Tb ] 2.7310 a [ Dy ] 2.8733 a [ Ho ] 3.0218 a [ Er ] 3.1695 a [ Tm ] 0.6192 a + [ Yb ] 0.6592 a [ Lu ] 0.7010 a [ Hf ] 0.7454 a [ Ta ] 0.7915 a [ W ] 0.8388 a + [ Re ] 0.8907 a [ Os ] 0.9437 a [ Ir ] 0.9993 a [ Pt ] 1.0565 a [ Au ] 1.1171 a + [ Hg ] 1.1796 a [ Tl ] 1.2456 a [ Pb ] 1.3137 a [ Bi ] 1.3851 a [ Po ] 1.4592 a + [ At ] 1.5367 a [ Rn ] 1.6167 a [ Fr ] 1.7004 a [ Ra ] 1.7863 a [ Ac ] 1.8770 a + [ Th ] 1.9695 a [ Pa ] 2.0661 a [ U ] 1.1650 a [ Np ] 2.2679 a [ Pu ] 2.3652 a + [ Am ] 2.4829 a [ Cm ] 2.5974 a [ Bk ] 2.7147 a [ Cf ] 2.8250 a + +save_ + +save_dispersion_real_au + + _units.code none + + loop_ + _enumeration_source.id + _enumeration_source.reference + a 'International Tables Vol. C Table 4.2.6.8 3rd ed.' + + loop_ + _enumeration_defaults.index + _enumeration_defaults.value + _enumeration_defaults.source_id + [ H ] 0.0000 a [ D ] 0.0000 a [ He ] 0.0000 a [ Li ] -0.0006 a [ Be ] -0.0005 a + [ B ] -0.0010 a [ C ] -0.0014 a [ N ] -0.0023 a [ O ] -0.0030 a [ F ] -0.0034 a + [ Ne ] -0.0037 a [ Na ] -0.0044 a [ Mg ] -0.0052 a [ Al ] -0.0050 a [ Si ] -0.0055 a + [ P ] -0.0050 a [ S ] -0.0045 a [ Cl ] -0.0042 a [ Ar ] -0.0030 a [ K ] -0.0017 a + [ Ca ] -0.0002 a [ Sc ] 0.0015 a [ Ti ] 0.0047 a [ V ] 0.0070 a [ Cr ] 0.0101 a + [ Mn ] 0.0139 a [ Fe ] 0.0173 a [ Co ] 0.0219 a [ Ni ] 0.0244 a [ Cu ] 0.0298 a + [ Zn ] 0.0344 a [ Ga ] 0.0393 a [ Ge ] 0.0445 a [ As ] 0.0501 a [ Se ] 0.0560 a + [ Br ] 0.0613 a [ Kr ] 0.0668 a [ Rb ] 0.0717 a [ Sr ] 0.0769 a [ Y ] 0.0819 a + [ Zr ] 0.0863 a [ Nb ] 0.0905 a [ Mo ] 0.0934 a [ Tc ] 0.0960 a [ Ru ] 0.0981 a + [ Rh ] 0.0970 a [ Pd ] 0.0959 a [ Ag ] 0.0928 a [ Cd ] 0.0881 a [ In ] 0.0816 a + [ Sn ] 0.0728 a [ Sb ] 0.0613 a [ Te ] 0.0435 a [ I ] 0.0259 a [ Xe ] 0.0057 a + [ Cs ] -0.0194 a [ Ba ] -0.0494 a [ La ] -0.0835 a [ Ce ] -0.1222 a [ Pr ] -0.1666 a + [ Nd ] -0.2183 a [ Pm ] -0.2776 a [ Sm ] -0.3455 a [ Eu ] -0.4235 a [ Gd ] -0.5140 a + [ Tb ] -0.6165 a [ Dy ] -0.7322 a [ Ho ] -0.8709 a [ Er ] -1.0386 a [ Tm ] -1.2397 a + [ Yb ] -1.4909 a [ Lu ] -1.8184 a [ Hf ] -2.2909 a [ Ta ] -3.1639 a [ W ] -3.8673 a + [ Re ] -2.8429 a [ Os ] -2.4688 a [ Ir ] -2.2499 a [ Pt ] -2.1036 a [ Au ] -1.9775 a + [ Hg ] -1.8958 a [ Tl ] -1.8288 a [ Pb ] -1.7773 a [ Bi ] -1.7346 a [ Po ] -1.7005 a + [ At ] -1.6784 a [ Rn ] -1.6571 a [ Fr ] -1.6367 a [ Ra ] -1.6299 a [ Ac ] -1.6190 a + [ Th ] -1.6136 a [ Pa ] -1.6170 a [ U ] -1.6188 a [ Np ] -1.6231 a [ Pu ] -1.6351 a + [ Am ] -1.6424 a [ Cm ] -1.6592 a [ Bk ] -1.6746 a [ Cf ] -1.6984 a + +save_ + +save_dispersion_imag_au + + _units.code none + + loop_ + _enumeration_source.id + _enumeration_source.reference + a 'International Tables Vol. C Table 4.2.6.8 3rd ed.' + + loop_ + _enumeration_defaults.index + _enumeration_defaults.value + _enumeration_defaults.source_id + [ H ] 0.0000 a [ D ] 0.0000 a [ He ] 0.0000 a [ Li ] 0.0000 a [ Be ] 0.0000 a + [ B ] 0.0000 a [ C ] 0.0001 a [ N ] 0.0001 a [ O ] 0.0003 a [ F ] 0.0005 a + [ Ne ] 0.0008 a [ Na ] 0.0012 a [ Mg ] 0.0018 a [ Al ] 0.0027 a [ Si ] 0.0038 a + [ P ] 0.0052 a [ S ] 0.0069 a [ Cl ] 0.0091 a [ Ar ] 0.0118 a [ K ] 0.0149 a + [ Ca ] 0.0187 a [ Sc ] 0.0231 a [ Ti ] 0.0284 a [ V ] 0.0344 a [ Cr ] 0.0413 a + [ Mn ] 0.0492 a [ Fe ] 0.0582 a [ Co ] 0.0682 a [ Ni ] 0.0796 a [ Cu ] 0.0922 a + [ Zn ] 0.1063 a [ Ga ] 0.1218 a [ Ge ] 0.1389 a [ As ] 0.1576 a [ Se ] 0.1782 a + [ Br ] 0.2006 a [ Kr ] 0.2251 a [ Rb ] 0.2514 a [ Sr ] 0.2805 a [ Y ] 0.3112 a + [ Zr ] 0.3443 a [ Nb ] 0.3797 a [ Mo ] 0.4177 a [ Tc ] 0.4582 a [ Ru ] 0.5014 a + [ Rh ] 0.5469 a [ Pd ] 0.5955 a [ Ag ] 0.6469 a [ Cd ] 0.7013 a [ In ] 0.7587 a + [ Sn ] 0.8192 a [ Sb ] 0.8830 a [ Te ] 0.9499 a [ I ] 1.0201 a [ Xe ] 1.0938 a + [ Cs ] 1.1714 a [ Ba ] 1.2517 a [ La ] 1.3353 a [ Ce ] 1.4227 a [ Pr ] 1.5136 a + [ Nd ] 1.6077 a [ Pm ] 1.7056 a [ Sm ] 1.8069 a [ Eu ] 1.9120 a [ Gd ] 2.0202 a + [ Tb ] 2.1330 a [ Dy ] 2.2494 a [ Ho ] 2.3711 a [ Er ] 2.4949 a [ Tm ] 2.6240 a + [ Yb ] 2.7538 a [ Lu ] 2.8890 a [ Hf ] 3.0246 a [ Ta ] 3.1610 a [ W ] 0.6433 a + [ Re ] 0.6827 a [ Os ] 0.7238 a [ Ir ] 0.7669 a [ Pt ] 0.8116 a [ Au ] 0.8589 a + [ Hg ] 0.9080 a [ Tl ] 0.9594 a [ Pb ] 1.0127 a [ Bi ] 1.0685 a [ Po ] 1.1266 a + [ At ] 1.1876 a [ Rn ] 1.2504 a [ Fr ] 1.3162 a [ Ra ] 1.3840 a [ Ac ] 1.4553 a + [ Th ] 1.5284 a [ Pa ] 1.6047 a [ U ] 1.6831 a [ Np ] 1.7648 a [ Pu ] 1.8430 a + [ Am ] 1.9358 a [ Cm ] 2.0271 a [ Bk ] 2.1208 a [ Cf ] 2.2102 a + +save_ save_cromer_mann_a1