POTCAR for Br

Queries about input and output files, running specific calculations, etc.


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dlopezduran
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POTCAR for Br

#1 Post by dlopezduran » Tue Mar 07, 2023 5:23 pm

Dear all,
I'm trying to study a Pb-H-Br-C-N perovskite, but in the VASP files I cannot find the Br POTCAR.
Where can I find this Br POTCAR?
Thanks for your help, David.

pedro_melo
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Re: POTCAR for Br

#2 Post by pedro_melo » Tue Mar 07, 2023 7:46 pm

Dear David,

POTCAR files can be found in the VASP portal, https://www.vasp.at/vasp-portal/. You have to login using your username and password. There you will find both PBE and LDA PAW pseudo potentials. I just checked and Br is on the list of files present after downloading the compressed folder.

Kind regards,
Pedro Melo

dlopezduran
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Re: POTCAR for Br

#3 Post by dlopezduran » Wed Mar 08, 2023 5:02 pm

Dear Pedro,
Thank you very much for your help.
I didn't look so low ...
Best regards, David.

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