[Pw_forum] Re [6] : US-PP of Au

[reza shidpoor]

 Dear Paolo

Thank you for reply.

With ecut = 72 Ry , I repeated the simulation five times. The simulation
proceeded
several scf iterations and several bfgs iterations  but the jobs were never
finished. ( I attached one of the out puts. )

Is it possible the ecut is so great that RAM is not sufficient for 3-atoms
cluster ?

Best regards.

Reza.Shidpour
SUT
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