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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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