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.
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<---> [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
yambo: invalid option -- X
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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
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
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/
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/