[Pw_forum] running QHA examples

Abolore Musari abmus007 at gmail.com
Mon Jun 25 17:57:09 CEST 2012


Dear lorenzo
I must say U have solve a very big problem for me. Thank u so much
It has worked perfectly and I really appreciate ur assistance thanks so
much.

Thanks once again

musari A.A


On Mon, Jun 25, 2012 at 4:42 PM, Lorenzo Paulatto <
lorenzo.paulatto at impmc.upmc.fr> wrote:

> Yes, there is a small bug in the script which onyl shows with certain
> compilers, open Edit_Me with a text editor and change:
>      flfrc=$FC_file,
> with
>     flfrc='$FC_file',
> i.e. add the quotes, then you should be able to run the example (it has
> not yet finished for me, so I'm not 100% sure).
>
> If you are also interested in the Debye temperature, there is another bug
> to fix; open QHA/Include/Runnin and change
>   $QHA_DIR/bin/Debye.x <PHDOS.out >>Theta_D
> to
>   $QHA_DIR/bin/Debye.x  >>Theta_D
>
> This should allow you to run the examples.
>
> bests regards, and good work
>
> P.S. please note that if you had spent 30 seconds more writing your
> request, and stating the code version and the example from the beginning, I
> would have got an answer much earlier.
>
>
>
> --
> Lorenzo Paulatto IdR @ IMPMC/CNRS & Université Paris 6
> phone: +33 (0)1 44275 084 / skype: paulatz
> www:   http://www-int.impmc.upmc.fr/~paulatto/
> mail:  23-24/4é16 Boîte courrier 115, 4 place Jussieu 75252 Paris Cédex 05
>
>
> _______________________________________________
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> Pw_forum at pwscf.org
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>
>
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