p4vasp on ubuntu system

Message

gVallverdu · #1 Post by **gVallverdu** » Thu Jun 21, 2012 10:58 pm

Hello,

I use ubuntu 12.04 and I tried to install p4vasp following this thread : http://cms.mpi.univie.ac.at/vasp-forum/ ... php?2.7812

The compilation seems to end without errors but when running p4vasp I got the following issue :

* If I click on show or show control in order to see the structure I see only one red atom at the origin

* If I plot the DOS, I see the total DOS but projected DOS are wrongs. I check that by superimposing projected DOS manually with xmgrace. Projected DOS look like a dirac function at a given energy value.

* I can not see the menu from where you can export graphs to file or select to show the bands insteed of the DOS.

If I run diagnostic.py it says that it does not find python.h. In the FAQ file of p4vasp there is a comment about that and in ubuntu the directory /usr/include/python does not exist. But makefiles look in /usr/include/python2.7 where Python.h exist. Thus I do not know how to correctly set the path to this header.

Thanks for your help

Germain

rrobles · #2 Post by **rrobles** » Fri Jun 22, 2012 11:59 am

Hi,

This might be a problem with LC_NUMERIC if your system language uses a comma instead of a point for the decimal separator. Then p4vasp sees, for example, 4.5 as 4 and you get deltas at integer values.

If this is the case, you might try to run "LANG=C p4v" instead of "p4v" or to add the locale in the p4v script.

gVallverdu · #3 Post by **gVallverdu** » Mon Jun 25, 2012 9:51 am

Hi

Thanks, that fix it. For the compilation, finally, I installed it from the ppa of Graham Inggs.