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.
POTCAR : X vs X_pv
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satish2414
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POTCAR : X vs X_pv
Last edited by satish2414 on Mon May 19, 2014 10:13 pm, edited 1 time in total.
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support_vasp
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Re: POTCAR : X vs X_pv
Hi,
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