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  • TRUE. AEXX = 1.0 ; ALDAC = 0.0 ; AGGAC = 0.0 NKRED = 2 ISMEAR = 0 ; SIGMA = 0.05 KPAR = 8 NBANDS = 4 NKRED=2 is used for the downsample the k-space representation...
    7 KB (1,120 words) - 13:21, 14 November 2019
  • TRUE. ; HFSCREEN = 0.2 ; AEXX = 0.25 ALGO = D ; TIME = 0.4 ; LDIAG = .TRUE. NKRED = 2 EDIFF = 1.E-6 NBANDS = 24 LWANNIER90_RUN = .TRUE. You will have to provide...
    7 KB (938 words) - 14:18, 14 November 2019