[Pw_forum] XSPectra calculations!

[Suman Dhayal]

Dear Paolo, Thank you for the quick help.

Dear Ari, Thank you for the guidelines and the references for reading, its
really helpful of you. I was confused about whether I would have to
separately make it or so. SO Thank You! I made it now and tried to run the
example which did not run yet, it seems to be a format problem which I
should be able to take care hopefully. If you would have a look at the
error, it is like this :

running xspectra.x ...At line 2089 of file xspectra.f90 (unit = 33, file =
'C.wfc')
Fortran runtime error: End of file
Error condition encountered during test: exit status = 2
Aborting

If you have any quick guidelines I would really appreciate it else I would
try to work on it by myself.

Thank you so much,

Harli

On Mon, Nov 15, 2010 at 2:16 PM, Ari P Seitsonen <Ari.P.Seitsonen at iki.fi>wrote:

>
> 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
>
>
> -=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-
>    Ari P Seitsonen / Ari.P.Seitsonen at iki.fi / http://www.iki.fi/~apsi/<http://www.iki.fi/%7Eapsi/>
>   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
> >
> >
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