[Pw_forum] command line for pwo2xsf.sh

[Jaret Qi]

I'm using the version of espresso-5.0.2 release and for the output file I'm using a regular output for pw.x run of espress-5.2.0 release  


     On Wednesday, October 21, 2015 1:53 AM, Paolo Giannozzi <p.giannozzi at gmail.com> wrote:
   

 How can anybody know if you do not specify which version of pwo2xsf.sh and which file you are using?

P.

On Wed, Oct 21, 2015 at 9:34 AM, Jaret Qi <jaretqi at yahoo.com> wrote:

Why I got this error:  ERROR: error reading Forces records,when I se the command : pwo2xsf.sh -oc sc.out > sc1.out. The original file looks Ok!


     On Tuesday, October 20, 2015 12:29 AM, Jaret Qi <jaretqi at yahoo.com> wrote:
   

 I tried both but got this error:(standard_in) 1: syntax error/home/bin/pwo2xsf.sh: line 92: test: -eq: unary operator expected 


     On Tuesday, October 20, 2015 12:12 AM, Paolo Giannozzi <p.giannozzi at gmail.com> wrote:
   

 

On Tue, Oct 20, 2015 at 7:44 AM, Jaret Qi <jaretqi at yahoo.com> wrote:


pwo2xsf.sh --animxsf|-a file.out sc.out 

pwo2xsf.sh -a file.out > sc.out 
or
pwo2xsf.sh --animxsf file.out > sc.out 

P.
-- 
Paolo Giannozzi, Dept. Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222

   

   



-- 
Paolo Giannozzi, Dept. Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222

  
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