[Pw_forum] ecutwfc

Sohail Ahmad sohailphysics at yahoo.co.in
Mon Jul 16 07:47:45 CEST 2012


Dear Users,
In QE, the usual first step is testing PP and ecutwfc
I did it the same for bulk structure of a compound and followed further calculations

 May i consider the same value of ecutoff for mono or bilayers of the same compound as i am considering the same pseudo potential

This testing is required for pp or for structure

Sohail
KKU
Saudi
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