[Wien] k-points of supercell

2015-08-30 Thread Seyyed Amir Abbas Emami
​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

Re: [Wien] k-points of supercell

2015-08-30 Thread delamora
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