p4vasp on ubuntu system
Posted: 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
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