[Pw_forum] Old problem with cppp.x

[Gabriele Sclauzero]

Hello,

> Hello everyone,
> 
> I'm confronting a probably stupid problem with cppp.x! I saw this problem being reported two times in the forum:
> 
> http://www.democritos.it/pipermail/pw_forum/2011-February/019298.html
> 
> http://www.democritos.it/pipermail/pw_forum/2008-May/009020.html
> 

I think the second link here above is not related to your error message.

> Having read those, I'm still getting the following error:
> 
> Cannot open file ....espresso/out/cp_51.save/data-file.xml
> 
> I checked the corresponding address, and the files are there!
> and I also renamed the save directory and files to match the default cp_51 and .....
> 
> 
> This is my input file for cppp.x:
> 
> 
> &INPUTPP
> !  prefix=Anatase,
>    fileout=out,
>    output=xsf,
>    outdir=..mypath../espresso/out,

outdir should be a fortran string, that is to say that you have to enclose the path within quotation marks ( " or ' ).

>    wfcdir=..mypath../espresso/out,

This variable is not in the namelist, so you should get another error message from the code when the input is read.
Is this really the input file you used?

>    lrotation,
>    ns1, ns2, ns3,
>    np1, np2, np3,

Also these three lines above (and many others below) would make the code complain. Inside a namelist you have to stick to the list-directed syntax of F90, i.e.
variable = value,
where variable is one of those listed here:
http://www.quantum-espresso.org/wp-content/uploads/Doc/INPUT_CPPP.html


HTH


GS


§ Gabriele Sclauzero, EPFL SB ITP CSEA
   PH H2 462, Station 3, CH-1015 Lausanne







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