gmap: kd out of bounds

Submitted by kkoo on Mon, 12/07/2015 - 18:33

Dear All

I am calculating a cubic cell, 8X8X8 K-sampling in WFN_inner, with 0.01,0.01,0.01 shift in WFNq_ , I found a similiar post was in the forum, but not solved, is there any suggestion to solve this ? Thanks !

From proc 0: ERROR: gmap: kd out of bounds

jornada's picture

Submitted by jornada on Mon, 02/29/2016 - 08:53

A couple of questions:
1) Which version of BerkeleyGW are you using?
2) Do you get this error while running epsilon, sigma or bse?
3) Did you generate the WFNs with QE? If so, what's the kinetic energy cutoff?
4) What's the cutoff that you used for the screened coulomb potential and bare coulomb potential?