[Pw_forum] PAW potential for C
chengyu.young at gmail.com
Wed Nov 9 21:46:01 CET 2011
I am looking for the paw potential for C atom with the PBE as
XC function, can anyone tell me how can I get such a potential?
On the other hand, I googled the forum and somebody said the
choice of potential has no react to the result of binding energy, does
that mean whether I choose paw or normal potential, the result is the
Third problem, is the K point's setting has influence on the
calculation of binding energy? I found on this forum Dr. Nicola said
he would set the k point as gamma for all the calculations, but in all
the paper I read they use settings as 1*1*13 or something like that.
Thank you. Best regards.
MMAE,University of Central Florida, US
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