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yambo-4-0-2-bse calculations

Posted: Sat Mar 05, 2016 10:27 am
by samaneh
Dear Developers,
I run bse calculations with yambo-4-0-2 but it does not create any output
and there are two warnings at the end of the r_optics_bse file:

[05.04.01] Screened interaction header I/O
==========================================


[WARNING]Missing all or part of PP/Em1s DB

[WARNING]Bethe Salpter section skipped. Impossible to build the kernel.

I attached the input file also.
Thank you in advance.

Re: yambo-4-0-2-bse calculations

Posted: Mon Mar 07, 2016 9:53 am
by Daniele Varsano
Dear Samaneh,
indeed, the calculation of the screening is missing:
add the instruction to build up the screening in the command line to create the input:

Code: Select all

yambo -b -o eh -k sex -y ..... 
Adding the "-b" option you will have the "em1s" runlevel and the corresponding variable to set the screening (bands and Gblk).
If you have already calculated the screening (for instance at PP level for the GW) add the "-p p" option in the command line.

Best,

Daniele