Page 1 of 1

POTCAR : X vs X_pv

Posted: Mon May 19, 2014 10:13 pm
by satish2414
I was wondering on what basis I should choose between the two POTCARs supplied with VASP. For example Pd has 4p5s4d POTCAR and 5s14d9 POTCAR. I understand that more number of electrons would require more computation but is there any other reason why I should choose any one of them?

Besides when I write down the electronic configuration manually, I end up with the 4p5s4d configuration. But I have no clue why it can also be 5s14d9.

I appreciate any help.

Re: POTCAR : X vs X_pv

Posted: Thu Sep 12, 2024 8:36 am
by support_vasp

Hi,

We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.

Best wishes,

VASP