QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: taha55 on May 5, 2016, 10:45

Title: error ''No valid pseudopotential found for O''
Post by: taha55 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.
(http://i.hizliresim.com/y57yma.jpg)

Title: Re: error ''No valid pseudopotential found for O''
Post by: Petr Khomyakov 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.