Yambo Community Forum

Posted: **Sun Dec 14, 2025 9:03 am**

Dear all,
I want to run a GW calculation for the k-points positively defined between 0 and 1 k-point grid. (see pw_nscf.in)
k-points are generated by the following python script:

Code: Select all

import numpy as np
wgt = 1.0/(6*6*1)
for i in np.arange(0,1,1.0/6):
  for j in np.arange(0,1,1.0/6):
    for k in np.arange(0,1,1.0/1):
      print (i, j, k, wgt)

yambo tells me "X grid is not uniform. Gamma point only" (see r_setup_1)
refer to viewtopic.php?p=8718
I delete SAVE and rerun p2y, yambo -i -V all, uncomment NoDiagSC variable (see yambo.in).
run yambo again, it still tells me "X grid is not uniform : no " (see r_setup_2)
The forced command yambo -x -p p -g n -F gw.in only generate the gw.in file with only the comments of yambo package.

files.zip

Any help will be appreciated

Best regards.

Posted: **Sun Dec 14, 2025 11:59 am**

Dear lyzhao

this happens because your system has some symmetries while the k-point grid you are using
is generated without symmetries.
So there are two way to solve this problem

1) use a standard grid generated by Quantum Espresso

2) add the flags
nosym=.true.
noinve=.true.
and then use your own generated grid

let us know if works
best
Claudio

Posted: **Sun Dec 14, 2025 10:54 pm**

Dear Dr. Claudio,
Thanks for your quick help.
I have to use the self-defined grid, so I try the second way.
It works fine.

Best regards.

Yambo Community Forum

NoDiagSC not works for XX grid is not uniform. Gamma point only

NoDiagSC not works for XX grid is not uniform. Gamma point only

Re: NoDiagSC not works for XX grid is not uniform. Gamma point only

Re: NoDiagSC not works for XX grid is not uniform. Gamma point only