1 |
#BCC_quadrupole |
2 |
#Radius = 12 A |
3 |
#Qxx = 0 , Qyy = 0 Qzz = 1.5 |
4 |
#Alpha #Hard_const #SP_const #SF_const #TSF_const |
5 |
0 -21.7499854291 -21.7512679233 -21.7468708004 -20.3745334844 |
6 |
0.05 -21.7537876229 -21.7521778148 -21.7468069845 -20.3745306024 |
7 |
0.1 -21.7912002218 -21.7909305481 -21.7655441626 -20.3470457024 |
8 |
0.15 -21.8012666689 -21.8635613016 -21.9006342351 -20.3107097398 |
9 |
0.2 -21.7645622208 -21.8195591941 -21.9268708133 -20.8789227975 |
10 |
0.25 -21.7401824801 -21.764868949 -21.8051676744 -21.5440329218 |
11 |
0.3 -21.7172849156 -21.7531474051 -21.7575898167 -21.7335559171 |
12 |
0.35 -21.6764303741 -21.7523116224 -21.7524866016 -21.7516240573 |
13 |
0.4 -21.6043883739 -21.7522889781 -21.7522910366 -21.7522786852 |
14 |
0.45 -21.4857689851 -21.7522869195 -21.7522869195 -21.7522869195 |
15 |
0.5 -21.3009374893 -21.7522889781 -21.7522889781 -21.7522889781 |
16 |
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