[Pw_forum] Question on Pseudopotential in PWSCF

Adrain Zhou adrainzhou at yahoo.com.cn
Tue Aug 10 05:52:06 CEST 2004


Dear all,
 
I am not sure whether I can use the pseudopotentials with different XC functionals in one calculation.  It seems this is not possible in CPMD. 
 
In addition, the pseudopotential for Mg appeared in the PWSCF download page is only in LDA. Who has a PBE Vanderbilt ultrasoft pseudopotential which can be shared? 
 
Many thanks in advance!
 
adrain
 



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