X grid is not uniform

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X grid is not uniform

Postby 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
will
 
Posts: 25
Joined: Thu Feb 16, 2017 2:26 pm
Location: Beijing

Re: X grid is not uniform

Postby 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/
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Daniele Varsano
 
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Re: X grid is not uniform

Postby 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
will
 
Posts: 25
Joined: Thu Feb 16, 2017 2:26 pm
Location: Beijing

Re: X grid is not uniform

Postby 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
Institut Neel, CNRS/UJF ABINEEL group
25 rue des Martyrs BP 166, B√Ętiment D
38042 Grenoble cedex 9 France
web site: http://www.attaccalite.com
Freely download scientific books from: http://www.freescience.info
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Re: X grid is not uniform

Postby 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
will
 
Posts: 25
Joined: Thu Feb 16, 2017 2:26 pm
Location: Beijing


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