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each element using different type of pseudopotential


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  • From: Ariesto Pamungkas <ariesto@physik.rwth-aachen.de>
  • To: forum@abinit.org
  • Subject: each element using different type of pseudopotential
  • Date: Thu, 18 Mar 2004 09:23:16 +0000 (GMT)
  • Priority: normal

Hello all abinit user

I found that one type of pseudopotential or XC can
give good result for one element but for other
element , other type of pseudopotential give better
result. Is it oke using different pseudopotential or
XC to calculate a compound? ,for example using
Ge(Haman/GGA), Sb(TM/GGA), Te(Haman/GGA) and
Sn(Haman/LDA) potential to calculate GE-Sb-Sn-Te
compound?.




  • each element using different type of pseudopotential, Ariesto Pamungkas, 03/18/2004

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