I'm having trouble with VASP refusing to write the PROCAR file. I am using PAW potentials and have tried setting LORBIT equal to both 10 and 11, and also setting it to zero and manually supplying RWIG values, but no luck. I have also tried with IBRION = 2 and -1 and no change. Here is INCAR file from a sample run:
General:
SYSTEM = IrS2
ISTART = 0
ICHARGE = 2
ISMEAR = 0
SIGMA = 0.02
SYMPREC= 1.0E-06
LREAL = Auto
EDIFF = 1.0E-05
PREC = Accurate
LWAVE = .TRUE
LCHARGE = .TRUE
LVTOT = .TRUE
LORBIT = 11
ENCUT = 285
LMAXMIX = 4
Dynamics:
IBRION = 2
NSW = 300
It does write the DOSCAR file, but for some reason won't write PROCAR. I can't find any warnings or errors in the OUTCAR file relating to this.
I'm using almost the same INCAR file for several different compounds, and I'm only experiencing this with a few of them. I am running VASP 5.2.12.
Any help would be greatly appreciated.
VASP won't write PROCAR file
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jms
VASP won't write PROCAR file
Last edited by jms on Thu Jun 14, 2012 6:12 pm, edited 1 time in total.
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support_vasp
- Global Moderator
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Re: VASP won't write PROCAR file
Hi,
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