pseudopotentials
Posted: Fri Feb 10, 2012 10:10 pm
Hello,
I am a new Vasp user. Does any know a reference that shows what the numbers a US-PP pseudopotential file means?
Such as what is 0, 2 and the rest of the numbers below are referring two (I have guesses like 0 is s and 2 projectors but just trying to make sure) :
Non local Part
0 2 1.64535498
-7.27067597 39.1589009 39.1589009 -33.021482
Reciprocal Space Part
0.8084247E+00 0.8096361E+00 0.8133196E+00 0.8196211E+00 0.8287749E+00
Thanks in advance,
John
I am a new Vasp user. Does any know a reference that shows what the numbers a US-PP pseudopotential file means?
Such as what is 0, 2 and the rest of the numbers below are referring two (I have guesses like 0 is s and 2 projectors but just trying to make sure) :
Non local Part
0 2 1.64535498
-7.27067597 39.1589009 39.1589009 -33.021482
Reciprocal Space Part
0.8084247E+00 0.8096361E+00 0.8133196E+00 0.8196211E+00 0.8287749E+00
Thanks in advance,
John