[Pw_forum] electron-phonon with option 'simple'

Natalia Pavlenko natalia at npavlenko.com
Fri Mar 1 10:42:19 CET 2013


Dear users,

has somebody experience with calculation of electron-phonon coupling with option
electron_phonon='simple'?
In this case, the program ph.x does not create the files a2Fq2r.* which leads to
the interruption of the program q2r.x with the warning:
forrtl: severe (29): file not found, unit 51, file a2Fq2r.51

This can be easily checked it we perform the run of the example07 with electron_phonon='simple'.

How can we produce the files a2Fq2r.* with the option 'simple' for
the electron-phonon coupling?

Best regards, Natalia Pavlenko
-------------------------------------------

Dr. Natalia Pavlenko
Institute of Physics, University of Augsburg
Germany
Tel.: +49-821-5983664
Fax: +49-821-5983752
https://sites.google.com/site/natalia2pavlenko
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