[Pw_forum] pseudopotentials suitable for magnetic system and phcg

[weeliat]

Hi All,

I was reading that i need a nonlinear core correction PP (NLCC PP) for magnetic system calculation.  I am trying to calculate the vibrational states of a 140+ atom macromolecule formed using elements Co, Se, P, C, H.

I had looked through the pseudopotentials library and found that NLCC are implemented mostly for Ultrasoft or PAW favor. These USPP and PAW are not suitable for phcg.  

Questions:
1.  Is it alright to use norm-conserving PP for magnetic system?
2.  If not, am i right that i can only use ph.x to calculate the gamma point vibrational states?
3.  If I were to use ph.x, is there a way to extract the lowest few vibrational frequencies (10-20 modes) instead of waiting for all the 400+ modes to be done?

Thanks,

wee liat
Carnegie Mellon University
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