merging two QP databases

[sitangshu]

Hi,

I have two qp databases: ndb.QP1 in folder X and ndb.QP2 in folder Y, both computed on the same k grid.
How do I merge these two databases to a single file ndb.QP?
I tried to explore ypp -qpdb -m but I could not understand what these following lines means:

%Actions_and_names # [QPDB] Format is "what"|"OP"|"prefactor"|"DB"|. OP can be +/-/x(only for Z)
"E" |"+" |"1" |"none" |
%

Regards,
Sitangshu

[Daniele Varsano]

Dear Sitangshu ,

Code: Select all

%Actions_and_names # [QPDB] Format is "what"|"OP"|"prefactor"|"DB"|. OP can be +/-/x(only for Z)
"E" |"+" |"1" |"./X/ndb.QP1" |
"E" |"+" |"1" |"./Y/ndb.QP2" |
%

This will merge the two databases,

Best,
Daniele

[sitangshu]

Hi Daniele,

Thanks for your reply. There is probably another bug with the command ypp -e i:
It appears the interpolation is not properly done when diago solver is used along with "coupling". The exciton energies becomes negative in this.
Can you see this please. I am attaching the two files with and without diago solver.

Regards,
Sitangshu