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

Posted: Fri May 03, 2013 9:10 am
by 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?

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

Posted: Wed May 08, 2013 11:03 am
by 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

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

Posted: Wed May 08, 2013 12:47 pm
by sdwang
Thank you Claudio! I totally understand.