the difference of kpoint between DFT and GW

Submitted by zimingzhu on Wed, 09/09/2015 - 07:51

Dear GW Users,

I am doing band structure calculation with GW method for metal system and got the difference of kpoint between DFT and GW. For example, the kpoint path at DFT calculation is from 0.0 to 0.5, and then becomes that from 0.0 to 0.30679 with interpolation calculation, but the number of k point is unchanged. Why does some kpoint miss out? Does anybody has this kind of problem?

I would greatly appreciate for any comments.

Thank you.

ZM

jdeslip's picture

Submitted by jdeslip on Thu, 09/17/2015 - 16:56

Do you mean that in the output eqp.dat the k points come out with different values? In bandstructure.dat, they are printed in cartesian coordinates.