[Wien] Reg. Rkmax and K point

[Santhy Jaiker]

Dear Stefaan and Gerhard,
  The explanation with example gives straight forward understanding. Thanks for your reply.  
  With regards, 
  santhy Jaiker


Stefaan Cottenier <stefaan.cottenier at fys.kuleuven.be> wrote:  
> But i am not able to understand the statement, "Roughly double the 
> number of k-points at each step (doubled in the IBZ [=nr. of lines in 
> case.klist], not in FBZ [=input for kgen])." kindly elaborate the 
> above sentence.
>
Say that an input of 1000 for kgen (=1000 k-points in full BZ) gives 12 
lines in case.klist (=12 k-points in the irreducible part of the BZ). 
Then your next test should contain roughly 24 points in the irreducible 
part, the 3th test 48, the 4t test 96, etc. This increases much faster 
than taking fixed steps of 1000 or 2000, as you described. Only a 
roughly doubled mesh is significantly different from the previous one. 
Note that you'll usually not be able to exactly double the number of 
points, but that is not important.

Stefaan

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Regards,

Santhy Jaiker
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