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  • = Si PREC = Normal ; ENCUT = 250.0 ALGO = GW0 ISMEAR = 0 ; SIGMA = 0.01 ENCUTGW = 150 ; NELM = 1 ; NOMEGA = 50 ; OMEGATL = 280 KPAR = 2 #NBANDSO=4 ; NBANDSV=8 ;
    6 KB (791 words) - 13:20, 14 November 2019
  • follows: PREC = Normal ; ENCUT = 250.0 ALGO = TDHF ANTIRES = 0 ; SIGMA = 0.01 ENCUTGW = 150 EDIFF = 1.E-8 NBANDS = 16 NBANDSO = 4 NBANDSV = 8 OMEGAMAX = 20 PRECFOCK
    6 KB (1,027 words) - 13:47, 14 November 2019
  • Normal ; ENCUT = 250.0 #ALGO = BSE ANTIRES = 0 ISMEAR = 0 ; SIGMA = 0.01 ENCUTGW = 150 EDIFF = 1.E-8 # default 1.E-4 NBANDS = 16 # only bands that are used
    7 KB (1,046 words) - 14:17, 14 November 2019
  • interaction matrix is calculated for a high VCUTOFF and low energy cutoff ENCUTGW and written in that order to the OUTCAR file. Look for the lines similar
    9 KB (1,423 words) - 08:47, 14 November 2019
  • 96 # need for a lot of bands in GW PRECFOCK = Fast # fast mode for FFTs ENCUTGW = 100 # small energy cutoff for response function suffices for this tutorial
    14 KB (1,737 words) - 08:47, 14 November 2019
  • 96 # need for a lot of bands in GW PRECFOCK = Fast # fast mode for FFTs ENCUTGW = 100 # small energy cutoff for response function suffices for this tutorial
    13 KB (1,576 words) - 12:42, 9 July 2018