[DFTB-Plus-User] Gamma centered k-sampling

Pei Wang n8413274 at qut.edu.au
Wed Oct 6 01:54:51 CEST 2021


Dear DFTB+ users,

To reduce computation cost, I am trying to set gamma centered k-sampling 
for DOS calculation. However, I cannot find direct instructions on how 
to set it for DFTB+. Can anyone give a example on how to set 
Gamma-centered k-sampling.

Thanks

Regards

Pei Wang




More information about the DFTB-Plus-User mailing list