Problem with BSE input file generation

[javad]

Dear Yambo Developers

I'm trying to do a BSE calculation on top of a GW one.

My question is the following, may I use the dielectric constant (the plamon pole one) also in the BSE without recalculate it?

If I understand well the plasmon pole dielectric constant contains also the part at frequency equal to zero that is the one needed by the BSE.

I tried to generate the input as

yambo -o b -k sex -p p -y d

but Yambo always adds also the static dielectric constant in the input file and calculates it.
It is possible to avoid the calculation of the static one?

with best regards
Javad Exirifard

[Daniele Varsano]

Dear Javad,

If I understand well the plasmon pole dielectric constant contains also the part at frequency equal to zero that is the one needed by the BSE.

Right, as you say,

I tried to generate the input as

yambo -o b -k sex -p p -y d

but Yambo always adds also the static dielectric constant in the input file and calculates it.
It is possible to avoid the calculation of the static one?

It should be possible, try to generate the input by:

Code: Select all

yambo -o b -k sex -y d

Then edit the input file removing the epsm1 keyword and be sure that BSENGBlk it is the same value of the Gvector you calculated the PP.
It should work.

Best,
Daniele

[javad]

Dear Daniele

thank you fro the reply,

in fact it works if I generate the input as you suggest and remove em1s.
However the input file still contains many flags related to the static dielectric constant (NGsBlkXs, LongDrXs etc..)
but I think they are not used anymore

with best regards
Javad

[Daniele Varsano]

Dear Javad,
indeed, if the runlevel keyword is removed, the variables related to it are simply ignored.
Best,
Daniele