[CPMD-list] what is the difference between Goedecker Pseudopotential and Troullier-Marins Pseudopotential?

Chen Ying achen at mail.ustc.edu.cn
Wed Jun 28 05:27:03 CEST 2006


Dear all,

I know the both are norm-conserving, and Goedecker Pseudopotential (HGH) is
relativistic, separable, dual-space Gaussian-type. Perhaps it is hard to say which
one is better, but I don't know which one is more appropriate for a particular
element or system. Is HGH more effective for metal, and TM for nonmetal? Then when
I do simulations for a complicated system, can I use HGH for metal elements while
TM for nonmetal ones? Perhaps I should read more papers about these
pseudopotentials instead of just asking for help. Thank you very much in advance.




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Best regards
  achen



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