loos/srDFT_G2
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Na Li

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This commit is contained in:
Emmanuel Giner 2018-12-19 12:10:16 +01:00
parent 35d2a5bc47
commit cd437fca20
2 changed files with 9 additions and 10 deletions
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10
Data/data_srDFT/data_VDZ/data_Li_cc-pVDZ_HF_LDA
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@ -1,6 +1,6 @@
# thresh_dens thresh_WF LDA_PSI PBE_PSI
0.0000001 0.0000001
0.000001 0.000001
0.00001 0.00001
0.0001 0.0001
0.001 0.001
0.0000001 0.0000001 -0.4315851327
0.000001 0.000001 -0.4315939456
0.00001 0.00001 -0.4316208516
0.0001 0.0001 -0.4316801926
0.001 0.001 -0.4317954398

9
Data/data_srDFT/data_VDZ/data_Na_cc-pVDZ_HF_LDA
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@ -1,6 +1,5 @@
# thresh_dens thresh_WF LDA_PSI PBE_PSI
0.0000001 0.0000001
0.000001 0.000001
0.00001 0.00001
0.0001 0.0001
0.001 0.001
0.0000001 0.0000001 -0.2477964625
0.000001 0.000001 -0.2477973788
0.00001 0.00001 -0.2478080155