[Pw_forum] Nscf calculation problem

[wumindt2]

Dear All,

I met a problem with Nscf calculation. The K mesh i used is 12*12*12, and then there are
868 independent K points.  But it takes about 450 seconds to calculate only one K point.
If in this case, it will takes me 4.5 days to do such a nscf calculation.

The tested energy cutoff i used is 60 Ry.

Is there any way to accelerate the nscf calculation?  If i'm right, the nscf calculation just take the
charge density calculated from scf calculation, and there should be few way can accelerate the
nscf calculation. Is it?

Thanks for any help.

Min Wu
2010-10-20
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