[gpaw-users] Speeding up calculation for DFT/MD?

Lars Smykalla lars.smykalla at physik.tu-chemnitz.de
Mon Apr 22 13:46:00 CEST 2013


Hello,

sorry for interfering.

> and be sure to use xc='oldLDA' or 'oldPBE' if you can as
> this is much faster than the default libxc implementation.

What is the difference to the default PBE?
Will oldPBE give the same energy but just faster?


Greetings,
Lars


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