[Pw_forum] GGA potentials

titas at students.mrc.iisc.ernet.in titas at students.mrc.iisc.ernet.in
Mon Dec 13 18:26:33 CET 2004

 I am using pwscf code with GGA potentials. I am basically trying to look 
at the charge density contours of different metals. I find a difference in 
the contours with change in the ecut and ecutrho values (minute details in 
charge density get changed). Is there any optimum ecut and ecutrho value 
for metals ( W, Cr Mo etc) ? And what are the other important parameters 
when working with metallic systems.

with regards,

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