[Pw_forum] running QHA examples

Lorenzo Paulatto lorenzo.paulatto at impmc.upmc.fr
Mon Jun 25 17:42:37 CEST 2012


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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20120625/43c045e6/attachment.html>


More information about the users mailing list