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X grid is not uniform

Posted: Mon Feb 25, 2019 1:31 pm
by will
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

Re: X grid is not uniform

Posted: Mon Feb 25, 2019 2:08 pm
by Daniele Varsano
Dear Xiaowei,
In order to spot the problem, you are facing,
please post your QE input/output and the Yambo r_setup.

Best,
Daniele

Re: X grid is not uniform

Posted: Mon Feb 25, 2019 2:23 pm
by will
Dear Daniele,
Thanks for your reply. I've attached the files.

Thanks!

Best regards,

Xiaowei

Re: X grid is not uniform

Posted: Tue Feb 26, 2019 10:51 am
by claudio
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

Re: X grid is not uniform

Posted: Tue Feb 26, 2019 2:27 pm
by will
Dear Claudio,

Thanks for your reply. Looking forward to your patch.

Thanks!

Best regards,

Xiaowei