Dear Wien2k users,
I am trying to calculate DOS for a surface supercell but I am not sure why
case.dos1evup file
shows only zeros in the columns for density of states. I have calculated DOS
many times before
without any problem for bulk system. In my surface calculation I have used MPI
version of wien2k
and have only one k-point. I have used the following steps as usual,
x lapw2 -c -qtl -p -up
x lapw2 -c -qtl -p -dn
edited case.int file
x tetra -up
x tetra -dn
I have tried different range of energies in case.int file but couldn't make it
work. I would appreciate
if anyone can tell me how to solve this problem or whether there is a problem
in calculating DOS
for only one k-point.
Thanks,
Fhokrul
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