[Wien] (no subject)

sikandar azam sikandar_hu at yahoo.com
Fri Nov 21 15:01:11 CET 2014


Dear users I increased Emax from 1.5 to 1.9 in case.int file as shown and run x tetra command but the energy rangy don't increase from 20 eV. Please help me how to increase it.
RegardsKhan
Title -0.60 0.002 1.900 0.001  # EMIN, DE, EMAX, Gauss-broadening(>de)  3    N   0.000          # NUMBER OF DOS-CASES below, G/L/B broadening (Ry)    0    1   total        # atom, case=column in qtl-header, label    1    1   Atom1 tot    2    1   Atom1 sSUM: 0 2                     # NUMBER OF SUMMATIONS, max-nr-of summands2 5                      # this sums dos-cases 2+5 from the input above
with regardssikander
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