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  • TRUE. EMIN = -20.0 EMAX = 10.0 NEDOS = 1601 EFG Calculation LEFG = .TRUE. QUAD_EFG = 0.0 25.5 Chemical Shift PREC = Normal # nice ENCUT = 400.0 # typically
    4 KB (456 words) - 13:16, 14 November 2019
  • TRUE. EMIN = -20.0 EMAX = 10.0 NEDOS = 1601 EFG Calculation LEFG = .TRUE. QUAD_EFG = 146.6 0.0 Chemical Shift PREC = Normal # nice ENCUT = 400.0 # typically
    4 KB (535 words) - 13:15, 14 November 2019