Units frequency. Electron phonon coupling

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Units frequency. Electron phonon coupling

Postby amolina » Fri Apr 25, 2014 9:58 am

Hello,
what are the frequency units in the netcdf files ndb.elph_gkkp_fragment?
Cheers,
Alejandro.
Alejandro Molina-Sánchez
Physics and Materials Research Unit
Campus Limpertsberg
Université du Luxembourg
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Re: Units frequency. Electron phonon coupling

Postby Davide Sangalli » Sun Apr 27, 2014 5:30 pm

Dear Alejandro,
yambo uses Hartree for energies.

In the 'gkkp_expanded' in particular the variable 'ph_freqs_sq', that is the square of the phonon energy, should be in Hartree^2.

Best regards,
Davide
Davide Sangalli, PhD
CNR-ISM, Division of Ultrafast Processes in Materials (FLASHit) and MaX Centre
http://www.ism.cnr.it/en/davide-sangalli-cv/
http://www.max-centre.eu/
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