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Remove one band from for BSE kernel and dielectric constant calculation

Posted: Fri Feb 18, 2022 12:51 am
by Shimin
Dear Yambo team,

Is there anyway i can remove one band from the summation of calculation (Both BSE and
for example for BSE kernel, i have
% BSEBands
100 | 180 | # [BSK] Bands range
%n
then i find out an unrealistic band 148, and want to remove the contribution of this specific band.

For BSE kernel building since it is a matrix of Nv*Nc*Nbz size. What i mean remove would be setting all the c=148 matrix element to be zero.

For Dielectric matrix part it would be removing one term in the summation of band.

Re: Remove one band from for BSE kernel and dielectric constant calculation

Posted: Fri Feb 18, 2022 7:11 am
by Daniele Varsano
Dear Shimin,

it cannot be done by input file, and it would not be straightforward to modify the code for this,
however, I would suggest investigating why you have an unrealistic band rather than removing it.

Best,
Daniele