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error ''No valid pseudopotential found for O''
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Topic: error ''No valid pseudopotential found for O'' (Read 3428 times)
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taha55
New QuantumATK user
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error ''No valid pseudopotential found for O''
«
on:
May 5, 2016, 10:45 »
I installed and was using vasp with one monday demo license. I tried to do the band calculate like tutorial. but I get the error that I showed in the figure.May you help me about this error please.
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Petr Khomyakov
QuantumATK Staff
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Re: error ''No valid pseudopotential found for O''
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Reply #1 on:
May 5, 2016, 12:33 »
You should configure the VASP scripter as described in
http://quantumwise.com/documents/tutorials/latest/VASPScripter/index.html/chap.setup.html
. The POTCAR pseudopotential files for O and Sn are to be in the corresponding pseudopotential directories, e.g., in C:\Users\Asus\potpaw (default directory) for LDA-PAW calculations you intend to do, or any other directory, but the paths are then to be changed in the VASP Scripter accordingly. The POTCAR files as well as the entire VASP package are provided by the VASP distributor in Vienna,
https://www.vasp.at/
, not by QuantumWise.
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error ''No valid pseudopotential found for O''