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The XTermKind function

Posted: Sun May 13, 2018 11:39 am
by sdwang
Dear all,
I noticed there is a option in the input file 'XTermKind' for the response calculation. Does it work as 'GTermKind' now?

Thanks!

Shudong

Re: The XTermKind function

Posted: Mon May 14, 2018 9:05 am
by Daniele Varsano
Dear Shudong,
the terminators' technique for accelerating convergence on empty bands are both implemented for the response function X (XTermKind) and GW summation (GTermKind).
In order to activate them, it is needed to add verbosity in the generation of the input file.

Code: Select all

 "-V resp"
for XTermKind

Code: Select all

"-V qp"
for GTermKind

As usual, using

Code: Select all

"-V all"
you have all the auxiliary variables not set by default.

Best,
Daniele