Cr_sv potentail bug

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


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klwang
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Cr_sv potentail bug

#1 Post by klwang » Mon Jul 27, 2015 4:00 pm

I want to report a bug in the potential file for Zr_sv. The VRHFIN =r: 4s4p5s4d is wrong. It should be VRHFIN =Zr: 4s4p5s4d. It results in incompatible message while using this potential.

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Re: Cr_sv potentail bug

#2 Post by admin » Tue Jul 28, 2015 9:24 am

VRHFIN line in POTCAR is of informative character indicating
which electron configuration was used to generate the pseudopotential
of the atom.
Which incompatible message do you get?

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