[Wien] Incomplete DOS

delamora delamora at unam.mx
Thu Nov 5 00:55:49 CET 2020


Dear WIEN2k community,
I am doing Al2O3 and the DOS stops at 7eV, in the gap
In Al2O3.in1 I increased emax to 20.5 with no improvement

K-VECTORS FROM UNIT:4   -9.0       20.5   74   emin / de (emax=Ef+de) / nband

Pablo
--------------------
Struct;
Title
R   LATTICE,NONEQUIV.ATOMS:  2 167_R-3c
MODE OF CALC=RELA unit=ang
  8.256217  8.256217 22.287439 90.000000 90.000000120.000000
ATOM  -1: X=0.35100000 Y=0.35100000 Z=0.35100000
ATOM  -2: X=0.94199999 Y=0.55800000 Z=0.25000000



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