1 |
#BCC_quadrupole |
2 |
#Radius = 9 A |
3 |
#Qxx = 0 , Qyy = 0 Qzz = 1.5 |
4 |
#Alpha #Hard_const #SP_const #SF_const #TSF_const |
5 |
0 -21.7638581871 -21.7480750686 -21.7295293383 -19.3497498249 |
6 |
0.05 -21.7657294346 -21.7483241566 -21.7294922839 -19.3497774098 |
7 |
0.1 -21.7963549014 -21.7657047317 -21.7323248874 -19.3441661375 |
8 |
0.15 -21.852150603 -21.8579537347 -21.8022980165 -19.2643849129 |
9 |
0.2 -21.8478008274 -21.9485991054 -22.003828698 -19.2540848173 |
10 |
0.25 -21.7876924047 -21.9045620021 -22.0870961247 -19.9006043342 |
11 |
0.3 -21.7306739077 -21.8112878272 -21.9467155064 -20.9220211892 |
12 |
0.35 -21.6785733539 -21.764790723 -21.8095874416 -21.5378921833 |
13 |
0.4 -21.6045942317 -21.753816443 -21.7615587554 -21.7201381049 |
14 |
0.45 -21.4857813365 -21.7524001413 -21.7531515223 -21.7494316716 |
15 |
0.5 -21.3009374893 -21.7522930952 -21.7523363253 -21.7521366433 |
16 |
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17 |
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18 |
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