srDFT_Ex/Data/data_water/data_AVQZ_Si_state_2

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2018-12-05 18:14:12 +01:00
# thresh_dens thresh_WF LDA_PSI PBE_PSI
0.0000001 0.0000001 -0.0340038684 -0.0372597945
0.0000001 0.9 -0.0366097860 -0.0381694664