srDFT_G2/Data/data_srDFT/data_VDZ/data_H3COH_cc-pVDZ
2018-12-19 11:48:30 +01:00

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# thresh_dens thresh_WF LDA_PSI PBE_PSI
0.000001 0.0000001 -0.1813391357 -0.1748819494
0.000001 0.000001 -0.1814093476 -0.1754158880
0.000001 0.00001 -0.1814407536 -0.1760488720
0.000001 0.0001 -0.1821253520 -0.1794723354
0.000001 0.001 -0.1834063557 -0.1889987323