srDFT_SC/new/F2_vtz/data/data_DFT_vtz
2019-12-19 19:51:50 +01:00

15 lines
809 B
Plaintext

# FCI PBE PBEot
1.14 -0.0772198725 -0.0844277116 -0.0844860905
1.2 -0.0763026238 -0.0835574255 -0.0836216595
1.3 -0.0750505773 -0.0823582689 -0.0824333698
1.36 -0.0744351167 -0.0817613423 -0.0818433620
1.41193 -0.0739697392 -0.0813063218 -0.0813944974
1.5 -0.0733054328 -0.0806466395 -0.0807451116
1.6 -0.0727086646 -0.0800403055 -0.0801498396
1.8 -0.0718953295 -0.0791750184 -0.0793028166
2.0 -0.0714385409 -0.0786459215 -0.0787862628
2.2 -0.0712049727 -0.0783424179 -0.0784906165
2.4 -0.0710968353 -0.0781783550 -0.0783310313
2.8 -0.0710141573 -0.0780359999 -0.0781925864
8.0 -0.0710780565 -0.0780435440 -0.0782043663