Analyzing RPA using ypp

[nthiliniek]

Hello,

I have already calculated the RPA spectrum at zero electronic temperature. Do I need to specify the electronic temperature (0 eV) in input files for post-processing as well?

Here are the commands I use for excitation analysis:

ypp -J <database> -e s 1
ypp -F ypp_AMPL.in -J <database> -e a 1

Thanks
Niranji

[Daniele Varsano]

Dear Niranji,

the electronic temperature does not affect the analysis you are doing.

Best,
Daniele

[nthiliniek]

Hi Daniele,

Since I started the yambo calculation from a spin-polarized calculation, I got this output during excitation analysis.

# Band_V Band_C Kv-q ibz Symm_kv Kc q ibz Symm_kc Spin Weight Energy [eV] #
288 317 5 1 5 1 1 0.999827 2.039248
288 317 5 2 5 2 1 0.999803 2.039248
288 315 2 2 2 2 1 0.998899 2.032541
288 315 2 1 2 1 1 0.998898 2.032541
284 315 2 2 2 2 -1 0.998562 2.038849
284 315 2 1 2 1 -1 0.998542 2.038849
284 314 1 1 1 1 -1 0.998263 2.037368

I assume that "1" refers to spin up and "-1" refers to the spin-down channel in the spin column? Am I correct?

Thanks.

[Daniele Varsano]

Dear Niranji,

yes, that's correct.

Daniele