srDFT_Ex/Data/data_water/data_AVTZ_Tr_state_1
Emmanuel Giner 633d185990 added data
2018-12-05 18:14:12 +01:00

32 lines
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# thresh_dens thresh_WF LDA_PSI PBE_PSI
0.0000001 0.0000001 -0.0543767946 -0.0565556351
0.0000001 0.000001 -0.0543769585 -0.0567614187
0.0000001 0.00001 -0.0545548201 -0.0575512869
0.0000001 0.0001 -0.0550222285 -0.0600200008
0.0000001 0.001 -0.0549571799 -0.0625334174
0.0000001 0.9 -0.0550122358 -0.0626035425
0.000001 0.0000001 -0.0543775494 -0.0565549923
0.000001 0.000001 -0.0543777174 -0.0567607792
0.000001 0.00001 -0.0545555001 -0.0575506477
0.000001 0.0001 -0.0550227193 -0.0600193681
0.000001 0.001 -0.0549573414 -0.0625327978
0.000001 0.9 -0.0550123546 -0.0626029156
0.00001 0.0000001 -0.0543948117 -0.0565565482
0.00001 0.000001 -0.0543943352 -0.0567622180
0.00001 0.00001 -0.0545713568 -0.0575519603
0.00001 0.0001 -0.0550358972 -0.0600203801
0.00001 0.001 -0.0549647743 -0.0625335726
0.00001 0.9 -0.0550196234 -0.0626037022
0.0001 0.0000001 -0.0544680887 -0.0565685332
0.0001 0.000001 -0.0544665763 -0.0567740585
0.0001 0.00001 -0.0546420199 -0.0575637151
0.0001 0.0001 -0.0551030934 -0.0600324661
0.0001 0.001 -0.0550250026 -0.0625459947
0.0001 0.9 -0.0550786551 -0.0626160421
0.001 0.0000001 -0.0544682275 -0.0565376117
0.001 0.000001 -0.0544660459 -0.0567431702
0.001 0.00001 -0.0546409200 -0.0575330159
0.001 0.0001 -0.0551016595 -0.0600032660
0.001 0.001 -0.0550196267 -0.0625185727
0.001 0.9 -0.0550715828 -0.0625880909