POTCAR problem

Problems running VASP: crashes, internal errors, "wrong" results.


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TopolM
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Newbie
Posts: 6
Joined: Tue Nov 08, 2011 2:15 pm
License Nr.: 5-1179

POTCAR problem

#1 Post by TopolM » Fri Jul 13, 2012 5:28 pm

Hello!

I installed vasp.5.2.2 and it was compiled without errors
but when I run a task it gives an error:
ERROR FEXCP: supplied Exchange-correletion table
is too small, maximal index : 8891
I tried to run different tasks and result was the same

But when I replace POTCAR to POTCAR from vasp.4.6 it works

Could anyone help?

My INCAR and POSCAR for example, system: bulk Ag PAW PBE

INCAR
Start parameter for this Run:
ISTART = 0
ICHARG = 2
INIWAV = 0

Electronic relaxation
ENCUT = 750
IALGO = 48
NELMDL = -10
NSIM = 4
EDIFF = 1E-6

PREC = High

ISMEAR = -5
SIGMA = 0.2


Ionic Relaxation
EDIFFG = -0.01
NSW = 0
IBRION = -1

Write files
LWAVE = .FALSE.
LCHARG = .FALSE.

LREAL= .FALSE.
NELMIN = 4

POSCAR

fcc:
4.154
0.5 0.5 0.0
0.0 0.5 0.5
0.5 0.0 0.5
1
cartesian
0 0 0

Victor
Last edited by TopolM on Fri Jul 13, 2012 5:28 pm, edited 1 time in total.

support_vasp
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Posts: 1817
Joined: Mon Nov 18, 2019 11:00 am

Re: POTCAR problem

#2 Post by support_vasp » Tue Sep 10, 2024 2:22 pm

Hi,

We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.

Best wishes,

VASP


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