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empty POTCAR #7

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kexul opened this issue Apr 12, 2020 · 0 comments
Closed

empty POTCAR #7

kexul opened this issue Apr 12, 2020 · 0 comments

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@kexul
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kexul commented Apr 12, 2020 •
edited

Hi, I'm new to CSP, I installed CrySPY and try to reproduce some example. I choosed the VASP_qsub_EA_Na8Cl8 example, but I found the POTCAR in the calc_in folder is empty, when I submit an job, there is an error:
POSCAR found type information on POSCAR Na Cl
POSCAR found : 2 types and 16 ions
scaLAPACK will be used
ERROR: number of potentials on File POTCAR incompatible with number of species
INCAR : 2 POTCAR: 0
I'm using vasp5.4.4 now, I tried switch to vasp5.4.1 but the same error occured.
@kexul kexul closed this as completed Apr 13, 2020
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