The volume of the reciprocal cell is inverse of the unit cell, therefore the 
number of k points is proportional to the volume... in other words, if the unit 
cell is increased then the reciprocal cell is reduced and the # of k- points 
should be reduced proportionally to give the same k-point density, and thus the 
same calculation "quality".


________________________________
De: wien-boun...@zeus.theochem.tuwien.ac.at 
<wien-boun...@zeus.theochem.tuwien.ac.at> en nombre de Seyyed Amir Abbas Emami 
<a.a.em...@birjand.ac.ir>
Enviado: domingo, 30 de agosto de 2015 10:30 a. m.
Para: wien@zeus.theochem.tuwien.ac.at
Asunto: [Wien] k-points of supercell

Dear users.

I am trying to calculate band structure of A2 B1-x Cx (x=0, 0.25, 0.5, 0.75) 
compounds.But for compound x=0.25, 0.5, 0.75 supercell was created. Now can i 
use different k-points for each of compound. I mean for for x=0.25, 0.5 and 
0.75 is it possible to use less k -points because they takes more time. In 
other words,can i compare the results of whole compound with each others while 
their k-points are different.

thank you.
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