srDFT_Ex/Data/data_ethylene/data_AVTZ_Si_state_1
2018-12-11 16:24:24 +01:00

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# thresh_dens thresh_WF LDA_PSI PBE_PSI
0.00000001 0.00000001 -0.0795963235 -0.0795680020
0.0000001 0.0000001 -0.0796124431 -0.0796353138