[Pw_forum] Problem with using pp.x

Franklin Zhan zhanhit at hotmail.com
Wed Jul 3 16:04:43 CEST 2013







Dear Prof. Giannozzi,
Thanks for your helpful reply. Now I have got through it. 
Have a nice day!
Best wishes,

Franklin 

> From: paolo.giannozzi at uniud.it
> To: pw_forum at pwscf.org
> Date: Wed, 3 Jul 2013 15:24:36 +0200
> Subject: Re: [Pw_forum] Problem with using pp.x
> 
> On Wed, 2013-07-03 at 04:22 +0000, Franklin Zhan wrote:
> 
> > &plot
> > nfile = 3
> > filepp(1) = 'SWNT-Au.rho.dat'
> > weight(1) = 1.0
> > filepp(2)= 'SWNT.rho.dat'
> > weight(2)= -1
> > filepp(3)= 'Au.rho.dat'
> > weight(3)= -1
> > iflag = 3
> > output_format = 5
> > fileout = 'SWNT-Au.rho_diff.dat'
> > /
> > 
> > All step 1 and step 2 calculations are successful, but I can not
> > obtain the SWNT-Au.rho_diff.dat file in step 3. The information in
> > SWNT-Au.rho_diff.out is:  Reading header from file  SWNT-Au.rho.dat
> > only.
> 
> filepp(1), filepp(2), filepp(3) should be the same as filepp(1) in 
> steps 1,2,3, IIRC
> 
> Paolo
> 
> 
> -- 
> Paolo Giannozzi <paolo.giannozzi at uniud.it>
> DCFA, Univ. Udine
> 
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