[Pw_forum] Pseudo Potential selection with different methods

[Muthu V]

Dear QE Users,
i like to use USPP for my system. but for some element i do not find proper
PP in QE web page.
for example i want to study Mn effects in MoS2 layers for this my PP
selection is
   Mo :   Mo.pbe-spn-rrkjus_psl.0.2.UPF
    S   :   S.pbe-n-rrkjus_psl.0.1.UPF
   Mn  :  Mn.pbe-sp-van.UPF
​although all are USPP, these are produced with different methods RRKJ for
Mn and S and ​Vanderbilt method for Mn
so in QE such a combination of same Functional
exchange-correlation and different generating method is valid?
irrespective of this particular system , it is possible to follow such
combination for other system also ( in case i do not find same methods for
all elements in system )?
​
Just i want to be very sure about PP selection, your clarification will
help a lot

thank you ​
​-​
  Muthu Vallinayagam
  PhD-student
  Helmholtz Zentrum Dresden Rossendorf  ​
​-
​

​Note: similar, not exactly, discussion about ​PP type follows here
http://qe-forge.org/pipermail/pw_forum/2014-February/103209.html



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