[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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