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ypp issue of yambo-4.5.2

Posted: Sun Feb 21, 2021 10:35 am
by kli103
Dear yambo developers,

I used the ypp command

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$YAMDIR/ypp -e s -J bse
where

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$YAMDIR 
was the yambo installation directory to evaluate the oscillator strength of each excitation after I had successfully done BSE. However, I got the following issue.

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ypp : invalid option -- e

This is ypp 4.5.2 rev.171 - MPI+SLK -
Usage: ypp -h -H -J <opt> -V <opt> -F <opt> -I <opt> -O <opt> -C <opt> -D -W <opt> -Q -E <opt> -M -k <opt> -q <opt> -i -b -s <opt> -e <opt> -f -m -w <opt> -y
Try `ypp -H' for more information
With

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$YAMDIR/ypp -F amp.in -J bse
, I was able to obtain the amplitude and weight of transitions between bands at different kpoints for excitations.

Could you help me with this issue?

Best regards,
Kejun

Re: ypp issue of yambo-4.5.2

Posted: Sun Feb 21, 2021 10:41 am
by Daniele Varsano
Dear Kejun,

i advise to update to the new release of yambo, 5.0.
ypp -e s should sort the excitation according to their energy and amplitude.
Try to type

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ypp -e s 1 -J bse
if it does not work, there could a problem in the compilation, in this case please post your config.log file.

Best,
Daniele

Re: ypp issue of yambo-4.5.2

Posted: Mon Feb 22, 2021 1:10 am
by kli103
Dear Daniele,

ypp works now. Thanks!

Best,
Kejun