[Pw_forum] Problem with using pp.x

Paolo Giannozzi paolo.giannozzi at uniud.it
Wed Jul 3 15:24:36 CEST 2013


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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