QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: Dipankar Saha on November 16, 2016, 14:41

Title: Shift to Gamma
Post by: Dipankar Saha on November 16, 2016, 14:41

Hi,

One more option that I notice is the "shift to Gamma".  What's this for? /
"Gamma is included along the checked directions"....
"Checked directions" ...meaning??

Regards_
Dipankar

Title: Re: Shift to Gamma
Post by: Petr Khomyakov on November 16, 2016, 21:01

'Shift to Gamma' means that the k-point grid chosen will include the Gamma point. This is done by shifting the entire grid in 'checked directions', which are just reciprocal lattice vector directions (reciprocal to direct lattice vectors A, B and C). One may want to shift the k-grid in all three directions, or any two directions, or one of the three directions.

Title: Re: Shift to Gamma
Post by: Dipankar Saha on November 17, 2016, 10:43

 Thank you.... :)