[Pw_forum] about projwfc.x
Ruslan Minibaev
sodovar at gmail.com
Tue Oct 10 10:47:39 CEST 2006
Dear all!
I perform calculation of oxide surface.
I've made following steps:
1) relax mode - OK
2) scf mode - OK
3) nscf mode - OK4)
total dos - OK
On the next step I should separate surface states from the total DOS of
a slab.
If I understood correctly it can be done with use of projwfc.x
Input file for projwfc.x:
&inputpp
outdir='./'
filpdos='PDOS.dos',
Emin=-30.0, Emax=25.0, DeltaE=0.05
/
This mode failed:
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
task # 0
from read_restart_wfc : error # 1
Data Section not present in restart file
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
What's the reason of the error?
Best regards,
Ruslan Minibaev.
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