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
X grid is not uniform
Moderators: Davide Sangalli, andrea.ferretti, myrta gruning, andrea marini, Daniele Varsano, Conor Hogan
-
- Posts: 31
- Joined: Thu Feb 16, 2017 2:26 pm
- Location: Beijing
X grid is not uniform
Xiaowei Zhang
Ph.D. Student
ICQM, Peking University
Beijing, China
Ph.D. Student
ICQM, Peking University
Beijing, China
- Daniele Varsano
- Posts: 4231
- Joined: Tue Mar 17, 2009 2:23 pm
- Contact:
Re: X grid is not uniform
Dear Xiaowei,
In order to spot the problem, you are facing,
please post your QE input/output and the Yambo r_setup.
Best,
Daniele
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/
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/
-
- Posts: 31
- Joined: Thu Feb 16, 2017 2:26 pm
- Location: Beijing
Re: X grid is not uniform
Dear Daniele,
Thanks for your reply. I've attached the files.
Thanks!
Best regards,
Xiaowei
Thanks for your reply. I've attached the files.
Thanks!
Best regards,
Xiaowei
You do not have the required permissions to view the files attached to this post.
Xiaowei Zhang
Ph.D. Student
ICQM, Peking University
Beijing, China
Ph.D. Student
ICQM, Peking University
Beijing, China
- claudio
- Posts: 534
- Joined: Tue Mar 31, 2009 11:33 pm
- Location: Marseille
- Contact:
Re: X grid is not uniform
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
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
[CNRS/ Aix-Marseille Université/ CINaM laborarory / TSN department
Campus de Luminy – Case 913
13288 MARSEILLE Cedex 09
web site: http://www.attaccalite.com
-
- Posts: 31
- Joined: Thu Feb 16, 2017 2:26 pm
- Location: Beijing
Re: X grid is not uniform
Dear Claudio,
Thanks for your reply. Looking forward to your patch.
Thanks!
Best regards,
Xiaowei
Thanks for your reply. Looking forward to your patch.
Thanks!
Best regards,
Xiaowei
Xiaowei Zhang
Ph.D. Student
ICQM, Peking University
Beijing, China
Ph.D. Student
ICQM, Peking University
Beijing, China