Hi,
I performed silicon scf caculation and now am trying to run a 'bands'
calculation. I have copied the silicon.save file from scf directory into wfn
directory. However, I get the following error:
Atomic positions and unit cell read from directory:
./silicon.save/
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Error in routine pw_readfile (1):
error opening xml data file
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
stopping ...
cp: omitting directory `silicon.save'
Loading Intel 19.0.5: Warning - module intel already loaded
Abort(1) on node 0 (rank 0 in comm 0): application called
MPI_Abort(MPI_COMM_WORLD, 1) - process 0
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
task # 0
from pw_readfile : error # 1
error opening xml data file
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
.
Please help.
Thank you.
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