Hi all,
Can some body explain me, how to fix vkloff for non cubic systems ???
Regards KONDAL
Hi Kondal,
You can take a look at http://cst-www.nrl.navy.mil/bind/kpts/
…or just use (assuming you're not dealing with a surface, 2D or 1D system)
vkloff 0.25 0.5 0.625
This seems to work quite magically for lots of systems.
Cheers, Kay.
Thank you very much Prof. Kay, We are working on solids.
KONDAL
Here is a good link. We use Chadi Cohen k-points:
http://th.fhi-berlin.mpg.de/th/fhi98md/doc/main/node15.html
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Hi all,
Can some body explain me, how to fix vkloff for non cubic systems ???
Regards
KONDAL
Hi Kondal,
You can take a look at
http://cst-www.nrl.navy.mil/bind/kpts/
…or just use (assuming you're not dealing with a surface, 2D or 1D system)
This seems to work quite magically for lots of systems.
Cheers,
Kay.
Thank you very much Prof. Kay, We are working on solids.
KONDAL
Here is a good link. We use Chadi Cohen k-points:
http://th.fhi-berlin.mpg.de/th/fhi98md/doc/main/node15.html