X grid is not uniform

You can find here problems arising when using old releases of Yambo (< 5.0). Issues as parallelization strategy, performance issues and other technical aspects.

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will
Posts: 31
Joined: Thu Feb 16, 2017 2:26 pm
Location: Beijing

X grid is not uniform

Post by will » Mon Feb 25, 2019 1:31 pm

Hi all,
Does anyone know how to deal with the error "X grid is not uniform"? For small systems, everything is fine. However, the error shown before is always present no matter how I set the k-grid.
The warning information is as follows:
_____________________________________________________________________________
[03] Transferred momenta grid
=============================


[WARNING][RL indx] 2 equivalent points in the rlu grid found

[RL indx] X grid is not uniform. Gamma point only.
[WR./SAVE//ndb.kindx]---------------------------------------
Fragmentation :no
Polarization last K : 20
QP states : 1 20
X grid is uniform :no
BS scattering :no
COLL scattering :no
- S/N 002256 -------------------------- v.04.02.04 r.00130 -
_________________________________________________________

I use Yambo-4.2.4 and qe-6.3.
I've tried the suggestions related to this issue on Yambo's forum. But all didn't work.
Could you help me?

Thank you very much!

Best regards,
Xiaowei
Xiaowei Zhang
Ph.D. Student
ICQM, Peking University
Beijing, China

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Daniele Varsano
Posts: 4231
Joined: Tue Mar 17, 2009 2:23 pm
Contact:

Re: X grid is not uniform

Post by Daniele Varsano » Mon Feb 25, 2019 2:08 pm

Dear Xiaowei,
In order to spot the problem, you are facing,
please post your QE input/output and the Yambo r_setup.

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/

will
Posts: 31
Joined: Thu Feb 16, 2017 2:26 pm
Location: Beijing

Re: X grid is not uniform

Post by will » Mon Feb 25, 2019 2:23 pm

Dear Daniele,
Thanks for your reply. I've attached the files.

Thanks!

Best regards,

Xiaowei
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Xiaowei Zhang
Ph.D. Student
ICQM, Peking University
Beijing, China

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claudio
Posts: 534
Joined: Tue Mar 31, 2009 11:33 pm
Location: Marseille
Contact:

Re: X grid is not uniform

Post by claudio » Tue Feb 26, 2019 10:51 am

Dear Xiaowei

as I can see from your input, you are simulating a supercell.

Unfortunately, this supercell is not compatible with yambo,
I put in this forum a patch to read this supercell in the next days

best
Claudio
Claudio Attaccalite
[CNRS/ Aix-Marseille Université/ CINaM laborarory / TSN department
Campus de Luminy – Case 913
13288 MARSEILLE Cedex 09
web site: http://www.attaccalite.com

will
Posts: 31
Joined: Thu Feb 16, 2017 2:26 pm
Location: Beijing

Re: X grid is not uniform

Post by will » Tue Feb 26, 2019 2:27 pm

Dear Claudio,

Thanks for your reply. Looking forward to your patch.

Thanks!

Best regards,

Xiaowei
Xiaowei Zhang
Ph.D. Student
ICQM, Peking University
Beijing, China

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