srDFT_SC/Data/H10/data_H10_vdz_cas1010
2019-06-03 12:44:05 +02:00

13 lines
833 B
Plaintext

# ExFCI LDA PBE PBEot PBEot/n
1.0 -4.21872019 -0.0486361128 -0.0494943245 -0.0518463428 -0.0492406811
1.2 -5.02724990 -0.0425749008 -0.0417459664 -0.0443282508 -0.0422546989
1.4 -5.40883722 -0.0364803168 -0.0340365384 -0.0366975553 -0.0350810734
1.6 -5.57029860 -0.0322085435 -0.0287916742 -0.0312456840 -0.0298308816
1.8 -5.61418865 -0.0294066088 -0.0253412550 -0.0273870327 -0.0260309955
2.0 -5.59491224 -0.0274400874 -0.0228513142 -0.0243743084 -0.0230147830
2.4 -5.47631276 -0.0250382960 -0.0196068339 -0.0197987931 -0.0183514807
2.8 -5.33459653 -0.0238323677 -0.0177735576 -0.0162932037 -0.0147414796
3.2 -5.21279518 -0.0231795197 -0.0167086019 -0.0133321572 -0.0117262395
3.6 -5.12434404 -0.0227338875 -0.0160404805 -0.0106568054 -0.0090722544