srDFT_Ex/Data/data_water/data_AVTZ_Si_state_1

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2018-12-05 18:14:12 +01:00
# thresh_dens thresh_WF LDA_PSI PBE_PSI
0.0000001 0.0000001 -0.0569891010 -0.0595519500
0.0000001 0.000001 -0.0570582402 -0.0598754389
0.0000001 0.00001 -0.0573360398 -0.0607962926
0.0000001 0.0001 -0.0580019176 -0.0634015317
0.0000001 0.001 -0.0581747402 -0.0660557060
0.0000001 0.9 -0.0585379435 -0.0663708000
0.000001 0.0000001 -0.0569950614 -0.0595518385
0.000001 0.000001 -0.0570643862 -0.0598753352
0.000001 0.00001 -0.0573422455 -0.0607962035
0.000001 0.0001 -0.0580083455 -0.0634015329
0.000001 0.001 -0.0581812323 -0.0660558231
0.000001 0.9 -0.0585443334 -0.0663709029
0.00001 0.0000001 -0.0570285908 -0.0595612483
0.00001 0.000001 -0.0570977646 -0.0598847523
0.00001 0.00001 -0.0573754303 -0.0608056570
0.00001 0.0001 -0.0580415586 -0.0634110082
0.00001 0.001 -0.0582147263 -0.0660650473
0.00001 0.9 -0.0585774820 -0.0663806279
0.0001 0.0000001 -0.0570188548 -0.0595636310
0.0001 0.000001 -0.0570887652 -0.0598871793
0.0001 0.00001 -0.0573666664 -0.0608081830
0.0001 0.0001 -0.0580341723 -0.0634145666
0.0001 0.001 -0.0582076237 -0.0660689680
0.0001 0.9 -0.0585663352 -0.0663841788
0.001 0.0000001 -0.0568795842 -0.0593723357
0.001 0.000001 -0.0569531920 -0.0596962766
0.001 0.00001 -0.0572362951 -0.0606179739
0.001 0.0001 -0.0579132328 -0.0632302945
0.001 0.001 -0.0580921082 -0.0659007873
0.001 0.9 -0.0584385866 -0.0662053504