The difference between ypp -k k and ypp -s b

[sdwang]

Dear developers:
I have found two examples about 2D band structures interpolation methods using ypp -k khttp://www.yambo-code.org/input_file/ya ... ypp_kk.php and ypp -s bhttp://www.yambo-code.org/input_file/ya ... _bands.php. I am confused about the ypp -s b if it can use to get the 2D band structures from regular grid QP energy?

[claudio]

Dear S. D. Wang

the interpolation ypp -s b can be used to obtain 2D band structure without any problem.

While ypp -k k, just generate a list of k-points and then you have to perform DFT calculation
to get the energyin the diffent points, but there isn't any interpolation, and it is used to speed up
optical spectra calculations.

regards
Claudio Attaccalite

[sdwang]

Thank you Claudio! I totally understand.