POTCAR problem
Posted: 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
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