Dear developers and users:
I'm trying to use the option "DipWeight" in ypp, which, as I understand , will further scale the k-space exciton wavefunction with the strength of dipole transitions. However, I got exactly the same result in exc_weight files with and without "DipWeight". It seems to be because the relevant codes are commented-out in excitons_amplitudes.F :
......
!if(l_weight_with_dipoles) then
! ikbz = BSS_eh_table(neh,1)
! iv = BSS_eh_table(neh,2)
! ic = BSS_eh_table(neh,3)
! i_spin= spin(BSS_eh_table(neh,:))
! dip_factor=conjg(DIP_projected(ic,iv,ikbz,i_spin))*DIP_projected(ic,iv,ikbz,i_spin)
!endif
......
!if(l_weight_with_dipoles.and.norm_>0._SP) A_weight=A_weight/norm_
......
If I uncomment these lines, I need to further declare the function "DIP_projected" and the variable "l_weight_with_dipoles". Can anyone tell me how to invoke the function "DIP_projected" and what type the variable "l_weight_with_dipoles" is?
Thanks very much~
The option "DipWeight" of ypp
Moderators: Davide Sangalli, andrea marini, Daniele Varsano
-
- Posts: 18
- Joined: Tue Dec 06, 2016 9:43 am
The option "DipWeight" of ypp
Zeyu Jiang
Postdoc
Department of Physics, Applied Physics, and Astronomy
Rensselaer Polytechnic Institute
Troy, New York
Postdoc
Department of Physics, Applied Physics, and Astronomy
Rensselaer Polytechnic Institute
Troy, New York
- Daniele Varsano
- Posts: 3828
- Joined: Tue Mar 17, 2009 2:23 pm
- Contact:
Re: The option "DipWeight" of ypp
Dear Zeyu Jiang,
if it has been commented it is probably because there was something not properly debugged.
Anyway if you want to give a try:
DIP_projected can be taken from the module X_m, so you can add to the subroutine:
use X_m, ONLY:DIP_projected
l_weight_with_dipoles need to be defined as a logical:
logical :: l_weight_with_dipoles
and next ,
use parser_m, ONLY:parser
call parser('DipWeight',l_weight_with_dipoles)
to activate it.
Anyway, as I told you before, being a commented source, it is a feature that it is not debugged/tested/validated.
Best,
Daniele
if it has been commented it is probably because there was something not properly debugged.
Anyway if you want to give a try:
DIP_projected can be taken from the module X_m, so you can add to the subroutine:
use X_m, ONLY:DIP_projected
l_weight_with_dipoles need to be defined as a logical:
logical :: l_weight_with_dipoles
and next ,
use parser_m, ONLY:parser
call parser('DipWeight',l_weight_with_dipoles)
to activate it.
Anyway, as I told you before, being a commented source, it is a feature that it is not debugged/tested/validated.
Best,
Daniele
Dr. Daniele Varsano
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/