[Pw_forum] XSPectra calculations!

[Ari P Seitsonen]

Dear Harli,

   Did you execute 'make xspectra' in the directory of the source code? 
XSpectra is not created with 'make all', for example. After the 
compilation you might want to study carefully the 'run_example' and read 
some of the papers from Christos Gougoussis and Matteo Calandra on their 
applications of the code; those will also lead you to more references 
on the theory behind the code from the institute in Paris where they 
work/worked.

     Greetings from Zurich,

        apsi

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   Ari P Seitsonen / Ari.P.Seitsonen at iki.fi / http://www.iki.fi/~apsi/
   Physikalisch-Chemisches Institut der Universitaet Zuerich
   Tel: +41 44 63 54 497  /  Mobile: +41 79 71 90 935


On Mon, 15 Nov 2010, Suman Dhayal wrote:

> hi,
> 
> Can anyone give some guidelines over how to do the XSpectra calculations
> please? I don't see any README file in the example XSPectra/ too. So I tried
> to just run it using ./run_example in the XSPectra/ but it doesn't find the
> xspectra.x file in the bin/ as it is not there. So please-please a little
> help in this.
> 
> Thanks,
> 
> Harli
> 
>