QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: GJK on May 7, 2014, 12:48

Title: k points -reg
Post by: GJK on May 7, 2014, 12:48

Hi,

For ZGNR and AGNR,what k points are to be fixed for BULK CONFIGURATION and DEVICE CONFIGURATION.

Already you have suggested me the formula is (1,1,many) with many having multiples of three.

Is it ok to fix k-points 100 and more than 100 for BULK configuration.Some papers have reported them.Kindly clarify.

Thanks in advance.