[Pw_forum] IBM JS20 pw tests problems

[Lazaro Calderin]

Hi Axel and Paolo,

As you said most of the discrepancies are acceptable but these two bother
me   :

Checking metaGGA...discrepancy in total energy detected
discrepancy in force detected
Reference:   0.2336, You got:   0.2338
Error= .0002

Checking noncolin-constrain_atomic...discrepancy in total energy detected
Reference:   -55.690313, You got:   -55.687460
Error= .002853

Thanks, L.

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