[Pw_forum] IBM JS20 pw tests problems

Lazaro Calderin calderin at physics.queensu.ca
Mon Nov 24 18:04:09 CET 2008


Thanks Paolo,

> try to set the charge grid to 24 (nr1=24,nr2=24,nr3=24 in
> namelist system) and see if it makes a difference

The difference in total energies becomes less than 1e-6.

Lazaro

-- 
Lazaro Calderin
Department of Physics
Queen's University
Kingston, Ontario K7L 3N6, Canada
+1 613 533 6000 ext 74811
calderin at physics.queensu.ca


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