ypp_ph and QPkrange

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elena.cannuccia
Posts: 24
Joined: Tue Oct 11, 2016 10:58 am

ypp_ph and QPkrange

Post by elena.cannuccia » Tue Oct 18, 2016 9:50 am

Dear all,

I would like to report this small bug when runnin ypp_ph to get the Eliashberg functions. When you set

%QPkrange # generalized Kpoint/Band indices
1| 1| 3| 4|
7| 7| 5| 6|
%

you get only the first state for each line (b3_k1 and b5_k7).
I guess there should be a problem when the databases of Eliashberg functions are written, probably at yambo_ph level.

Thanks
Elena

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amolina
Posts: 135
Joined: Fri Jul 15, 2011 11:23 am
Location: Valencia, Spain
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Re: ypp_ph and QPkrange

Post by amolina » Tue Oct 18, 2016 11:41 am

Ciao Elena,
I have done a similar test and indeed yambo_ph does not write all the Eliashberg functions I have required.

In my case I have set
%QPkrange # [GW] QP generalized Kpoint/Band indices
1| 1| 3| 4|
4| 4| 5| 6|
%

but the EF for the state b4k1 is missing. However, the QP corrections are printed for all of them.

Cheers,

Alejandro.
Alejandro Molina-Sánchez
Institute of Materials Science (ICMUV)
University of Valencia, Spain

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