You may want to contact Prof. Dronskowski's group and ask if they are
doing any development of the COHP/COOP LOBSTER program for WIEN2k. As
it says "Other codes may follow…" on their website:
http://schmeling.ac.rwth-aachen.de/cohp/
If you are good at programming, you may want to ask them wha
No, this is not implemented.
Am 09.10.2017 um 13:08 schrieb ben amara imen:
Dear
I don't know whether or not wien2k can calculate COOP (Crystal Orbital
Overlap Populations)?. Thanks
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Installed the version 18.0.0 of ifort and it is now working.
Thank you very much.
Best regards,
Rui Costa.
---
Rui Mário Costa
up201100...@fc.up.pt
Estudante
FACULDADE DE CIÊNCIAS DA UNIVERSIDADE DO PORTO
Rua do Campo Alegre, s/n, 4169-007 Porto, Portugal
www.fc.up.pt [1]
A 2017-10-04 1
Dear
I don't know whether or not wien2k can calculate COOP (Crystal Orbital Overlap
Populations)?. Thanks
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Wien@zeus.theochem.tuwien.ac.at
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