Dear QE users,
When I calculate the PDOS for isolated gas molecule by projwfc.x , it stop with
an error :
Calling pprojwave ....
Problem Sizes
natomwfc = 2
nbnd = 24
nkstot = 128
npwx = 6346
nkb = 4
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Error in routine blk2cyc_zredist (1):
nb less than the number of proc
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
stopping ...
AFAIK, I should increase the nbnd in scf and nscf, right? But I wonder that is
the nbnd will affect the final PDOS of H2 ?
Thanks a lot
Clarence
City University of Hong Kong
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