Hello,
I would like to use Yambo for TD-HF calculations (compared to TD-ALDA).
I see in the input file section at the website this option:
Time-dependent Hartree-Fock yambo -k hf
However, I did not manage to apply it in Yambo-3.3.0.
Is this option only valid at the 3.4.0 version?
Do the ground-state wavefunctions from pwscf must be calculated with HF to apply this option?
Many thanks,
Sivan Refaely-Abramson
Weizmann Institute of Science
TD-HF
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Daniele Varsano
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Re: TD-HF
Dear Sivan,
yes this in an option for the 3.4 release.
You can use on whatever ground state wavefunction, anyway doing a TD-HF using LDA eigenvalues I presume would not be reliable at all. In order to get meaningful results, you would need some approximation for the quasi particle energies, e.g. HF eigenvalues.
Best,
Daniele
yes this in an option for the 3.4 release.
You can use on whatever ground state wavefunction, anyway doing a TD-HF using LDA eigenvalues I presume would not be reliable at all. In order to get meaningful results, you would need some approximation for the quasi particle energies, e.g. HF eigenvalues.
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/