Regarding qpoints in cartisien

[appalakondaiah]

Dear all,

Recently, I started working with EPW code to calculate the electron-phonon coupling and further phonon line widths for 2D materials. While, doing the calculations (means not tutorials presented in the website), I puzzled to understand as well as calculate the q points in Cartesian coordinates (For e.g 28 in MgB2 ), as well as their weights. Can any one please help me regarding the same !!!

Thanks in advance
Sincerely
S. Appalakondaiah
SAINT, SKKU
South Korea

[sponce]

Dear S. Appalakondaiah,

The list of q-point that you need to provide in EPW should be exactly the same as the one determined by the phonon code (you can take from the output of ph.out).

The weight actually does not matter (not read, there for history reasons). You can put 1.0 for all the weights.

Best,

Samuel