Author Topic: error ''No valid pseudopotential found for O''  (Read 2234 times)

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Offline taha55

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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.

Offline Petr Khomyakov

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Re: error ''No valid pseudopotential found for O''
« 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.