[Pw_forum] [Q-e-developers] Problem with Bands.x calculation

Filippo Spiga spiga.filippo at gmail.com
Wed Apr 1 11:52:46 CEST 2015


Dear  Sayan,

your request suits more  PWSCF Forum than q-e-developers. bands.x is part of PP package, make sure you do "make pp" or "make all" otherwise the executable does not appear. If for example pw.x is compiled successfully but not bands.x then is weird. Are you able to run the configure?

F

On Mar 30, 2015, at 11:52 AM, sayan chaudhuri <csayan895 at gmail.com> wrote:
> 
> 
> Hi,
>    I am trying to learn Quantum Espresso for last couple of weeks to draw the band structures of my samples. But I couldn't find the Bands.x file in any of the directories. Can you tell me what is the problem? Is it because of problem during installation? How can I get the file or is there any other procedure to calculate the band structure without using it.
>      Thanking You,
>        Sayan Chaudhuri
>           IIT Indore
>    
>     
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> Q-e-developers at qe-forge.org
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--
Mr. Filippo SPIGA, M.Sc.
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