srDFT_G2/Data/data_sr_dft_new/data_VDZ/data_NaCl_cc-pVDZ_HF_PBE
2018-12-19 12:47:52 +01:00

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# thresh_dens thresh_WF PBE_HF
0.000001 0.0000001 -0.6450094438
0.000001 0.000001 -0.6450609846
0.000001 0.00001 -0.6453172511
0.000001 0.0001 -0.6455884980
0.000001 0.001 -0.6483536531