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exercises:2015_ethz_mmm:hfx_h2ion

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exercises:2015_ethz_mmm:hfx_h2ion [2015/05/07 10:26]
sclelia
exercises:2015_ethz_mmm:hfx_h2ion [2015/05/07 12:43] (current)
sclelia [Input File]
Line 49: Line 49:
         &PBE         &PBE
           SCALE_X 0.5   ! amount of PBE eXchange (vary consistently with the HF/​FRACTION)           SCALE_X 0.5   ! amount of PBE eXchange (vary consistently with the HF/​FRACTION)
-          SCALE_C 1.0    ! amount of PBE Correlation+          SCALE_C 1.0    ! amount of PBE Correlation. DO NOT VARY!!!!!!
         &END         &END
       &END XC_FUNCTIONAL       &END XC_FUNCTIONAL
exercises/2015_ethz_mmm/hfx_h2ion.txt ยท Last modified: 2015/05/07 12:43 by sclelia