[Pw_forum] pw.x

[bamidele ibrahim]

Dear Taoufek,
What type of exchange correlation are you using?

 
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Adetunji Bamidele Ibrahim(PhD Student)
Department of physics,University of Agriculture,
Abeokuta, Ogun State,Nigeria.
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________________________________
 From: Sakhrawi Taoufek <tsakhrawi at yahoo.com>
To: "Pw_forum at pwscf.org" <Pw_forum at pwscf.org> 
Sent: Thursday, September 20, 2012 10:45 AM
Subject: [Pw_forum] pw.x
 

I made ​​a pw.xcalculation for the compound FeRh to estimate the value of a, the problem is thatI always find a value that doubles the expected value
Do you have any idea what to do
thank you
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