which pseudopotentials?

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

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mina
Posts: 110
Joined: Mon Sep 27, 2010 8:44 am

which pseudopotentials?

Post by mina » Tue Oct 05, 2010 8:40 am

Hello
i am working by abinit,i have put job for calculation of polarization but i have problem with pseudopotential of bifeo3,i have written this part in my files:
../../../Psps_for_tests/83bi.pspnc
../../../Psps_for_tests/26fe.pspnc
../../../Psps_for_tests/8o.pspnc
please guide me how i can choes potention for my job?
thankyou.

menderes
Posts: 5
Joined: Mon Oct 18, 2010 1:15 pm

Re: which pseudopotentials?

Post by menderes » Tue Nov 02, 2010 4:26 pm

I think you didnt write the true file path.you need to identify the file of your psp datas.for example;
/home/something/something/PSP_.../bi...

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