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POTCAR for Br
Posted: Tue Mar 07, 2023 5:23 pm
by dlopezduran
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.
Re: POTCAR for Br
Posted: Tue Mar 07, 2023 7:46 pm
by pedro_melo
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
Re: POTCAR for Br
Posted: Wed Mar 08, 2023 5:02 pm
by dlopezduran
Dear Pedro,
Thank you very much for your help.
I didn't look so low ...
Best regards, David.