about ps generation using fhi98PP

External optional components of Abinit (BigDFT, Wannier90...) and codes using/providing data from/to Abinit (AtomPAW, ONCVPSP, EXC, DP, Yambo...)

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malahmer
Posts: 1
Joined: Thu Nov 04, 2010 11:18 am

about ps generation using fhi98PP

Post by malahmer » Thu Nov 04, 2010 11:20 am

dear all
i have a installed the fhi98pp package to generate a pseudo file for Zn with pcc correction
but i have a problem with this package,the run problem is the next:

- the package fhi98pp was installed in : /home/User
- i have setting the FC=gfortran in the makefile in /src/ direcoty
- /make the package was installed without any problem and the executable were created
- i have set the fhipp_path in psgen and pswatch to /home/User/fhi98pp
- i have tried to run the test file al_h in work directory using
/home/User/fhi98PP/bin/tools/psgen -o al_h al_h.ini
but the run was interrepted and an error message appear:
/home/User/fhi98PP/bin/tools/psgen -executable not found:/home/User/User/fhi98PP/src/fhipp.x
/home/User/fhi98PP/bin/tools/psgen - quit: output
so if any one has an idea please help me
best regards

mverstra
Posts: 655
Joined: Wed Aug 19, 2009 12:01 pm

Re: about ps generation using fhi98PP

Post by mverstra » Fri Nov 19, 2010 11:54 pm

Hello,

this forum is for abinit - for fhi98pp you should try to contact the people from the Fritz Haber in Berlin (if anyone still supports it). I would recommend you look at more recent psp generators:

http://www.tddft.org/programs/APE/

http://opium.sourceforge.net/

Matthieu
Matthieu Verstraete
University of Liege, Belgium

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