Yambo Community Forum

Dear all,

I am trying to reproduce the result of third harmonic generation of silicon. I followed the steps in the lumen tutorial. When I run the calculation with the command yambo_nl, I got the error:

-------------------------------------
<---> [01] MPI/OPENMP structure, Files & I/O Directories
<---> [02] CORE Variables Setup
<---> [02.01] Unit cells
<---> [02.02] Symmetries
<---> [02.03] Reciprocal space
<---> [02.04] K-grid lattice
<---> Grid dimensions : 8 8 8
<---> [02.05] Energies & Occupations
<---> [03] Transferred momenta grid and indexing
<---> [04] Dipoles
<---> [DIP] Checking dipoles header
<---> [DIP] Checking overlaps header
<---> [WARNING] DIPOLES database not correct or missing
<---> Index g0 smallest positive vectors in each direction: 3 5 9
<---> Index g0 smallest negative vectors in each direction: 4 7 8
<---> Number of k-point in each direction: 8 8 8
<---> Index g0 smallest positive vectors in each direction: 3 5 9
<---> Index g0 smallest negative vectors in each direction: 4 7 8

[ERROR] STOP signal received while in[04] Dipoles
[ERROR] Error search for G=G1-G2 !!
-----------------------------

The Si database was generated by abinit 9.2.2 with the input file si.in from lumen tutorial. The Yambo version is Quantum Mobile Yambo 19.09.0.6 on VirtualBox.

I have reproduced the SHG spectrum of AlAs successfully. So I guess the Abinit was compiled successfully and the calculation procedure of Si is ok.

The input files ypp.in for reducing symmetry and yambo.in for THG calculation of Si are the same as the tutorial. I could not find out the reason for the error. Any suggestion will be appreciated.

Dear Zhengran

which version of Yambo are you using?

Please make a test:
start the calculation again, regenerate the SAVE folder
and when you run the setup remove the like

MaxGvecs= 965 RL # [INI] Max number of G-vectors planned to use

from the input, in such a way that Yambo will include all the plane-waves

let us know if it works

best
Claudio

Dear Claudio,

Thanks for your suggestion.

The Yambo version is Quantum Mobile Yambo 19.09.0.6 on VirtualBox.

I tried removing "MaxGvecs" line from the input but the error is the same.

Could there be something wrong with my SAVE files? I attached the input file for Si in abinit calculation. Can you offer a SAVE folder for me to test? (the Silicon_DBs.tar.gz on yambo website http://www.yambo-code.org/educational/t ... DBs.tar.gz has no ns.kb_pp file)


Best,
Zhengran

Dear Zhengran

I run the tutorial using QuantumEspresso (QE) and everything works fine (I do not have abinit installed here).

Pease use QE and let me know, inputs are in the tutorial webpage.

I put in attachment also the Si databases generated starting from QE here:
http://www.attaccalite.com/vari/Si_SAVE.tgz

I will install abinit and make more tests

best
Claudio

Dear all,

I am beginner with Yambo code.
I have a problem when I try to install Yambo code from the Yambo source. So I am now using the Quantum Mobile Yambo 19.09.0.6 on VirtualBox. But when I check the command yambo_nl. I got the errer "command not found'' .
So I returned to the directory yambo code. And I do ''make all ; I got => " yambo_nl is failed "
How can I fix this.

Thancks

Dear nourelhoudasafi,

please sign your post with your name and affiliation, this is a rule of the forum and you can do once for all by filling the signature in the user profile.

I strongly suggest you to compile a recent version of Yambo, because the Yambo release contained in the QM is rather old and mostly because the QM is meant for training and didactic purpose and not for production run.

If you have any problem in installing Yambo do not hesitate to ask help in the forum in the appropriate subforum.

Best,
Daniele