yambo: invalid option -- X

Deals with issues related to computation of optical spectra in reciprocal space: RPA, TDDFT, local field effects.

Moderators: Davide Sangalli, andrea.ferretti, myrta gruning, andrea marini, Daniele Varsano, Conor Hogan

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nsingh3
Posts: 14
Joined: Sun Jan 10, 2021 7:57 am

yambo: invalid option -- X

Post by nsingh3 » Wed Jun 30, 2021 4:58 pm

Hello developers,

I am trying to reproduce the BSE calculation of bulk h-BN as given on the webpage. I get the tarball for the same from the yambo wiki and start following the steps written in "Calculating optical spectra including excitonic effects: a step-by-step guide". I encounter the following error when I do static screening module.

[nsingh3@int2 YAMBO]$ yambo
OMP: Info #274: omp_set_nested routine deprecated, please use omp_set_max_active_levels instead.


__ __ _______ __ __ _______ _______
| | | || _ || |_| || _ || |
| |_| || |_| || || |_| || _ |
| || || || || | | |
|_ _|| || || _ | | |_| |
| | | _ || ||_|| || |_| || |
|___| |__| |__||_| |_||_______||_______|


<---> [01] CPU structure, Files & I/O Directories
<---> [02] CORE Variables Setup
<---> [02.01] Unit cells
<---> [02.02] Symmetries
<---> [02.03] RL shells

<---> [02.04] K-grid lattice
<---> Grid dimensions : 6 6 2
<---> [02.05] Energies [ev] & Occupations
<---> [03] Transferred momenta grid
<---> [04] Timing Overview
<---> [05] Game Over & Game summary
[nsingh3@int2 YAMBO]$ yambo -F screening.in -X s -V RL
yambo: invalid option -- X

This is yambo 4.5.3 rev.171 - MPI+OpenMP+HDF5_IO -
Usage: yambo -h -H -J <opt> -V <opt> -F -I <opt> -O <opt> -C <opt> -D -W <opt> -Q -E <opt> -M -N -i -o <opt> -k <opt> -y <opt> -r -x -d -b -p <opt> -g <opt> -l -a
Try `yambo -H' for more information


Any help in this matter will be helpful.

Best Regards,
Nisha Singh,
Postdoctoral Researcher,
TU Delft

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Daniele Varsano
Posts: 3810
Joined: Tue Mar 17, 2009 2:23 pm
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Re: yambo: invalid option -- X

Post by Daniele Varsano » Wed Jun 30, 2021 5:07 pm

Dear Nisha,

the tutorial are meant for the yambo 5.x release.
the -X s option is for the 5.x release.
In previous releases static screening is activated by:
yambo -b

you can type:
yambo -h
for the list of options.

In any case I strongly suggest you to update to the newest release:

git clone git@github.com:yambo-code/yambo.git yambo

Best,
Daniele
Dr. Daniele Varsano
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/

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