[Pw_forum] nscf

Paolo Giannozzi giannozz at nest.sns.it
Thu Oct 12 22:42:01 CEST 2006


On Oct 12, 2006, at 17:38 , H.S.Domingos wrote:

> I would like to ask if using nscf is the same as using scf with  
> electron_maxstep = 1
> and startingpot = 'file from previous scf or vc-relax run' ?

more or less, but the threshold used in the diagonalization is
not the same in the two cases

Paolo




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