[Pw_forum] postprocess pp require wfc_collect although that was set
Davide Tiana
d.tiana at bath.ac.uk
Tue Oct 15 13:26:46 CEST 2013
hello,
I've got a very weird problem. I optimised some structure and I would
like to plot now the frontier orbitals.
When I try to run pp it complains cause:
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Error in routine postproc (1):
pw.x run with a different number of procs/pools. Use wf_collect=.true.
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
but
[davide at wmd-master lda]$ head opta.in
&control
calculation='vc-relax',
title='up-down',
disk_io='low',
wf_collect=.true.
prefix='up-down'
etot_conv_thr=5.0d-4,
forc_conv_thr=5.0d-3,
/
so I am a bit lost now :-S
any suggestion?
Thanks you,
Davide
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