[SIESTA-L] MATEL: NQ too small for required cutoff.

[王亮]

Hello,

  When I do calculation with Ba in my model, I got such error:

outcell: Cell volume (Ang**3)        :    588.1054
<dSpData1D:S at geom step 0
  <sparsity:sparsity for geom step 0
    nrows_g=305 nrows=12 sparsity=.2605 nnzs=24230, refcount: 7>
  <dData1D:(new from dSpData1D) n=24230, refcount: 1>
refcount: 1>
MATEL: NQ too small for required cutoff.


Stopping Program from Node:   34

while meshcutoff is 180-600 Ry.

From https://www.mail-archive.com/siesta-l@listserv.uam.es/msg03300.html, I 
known it is error from matel.f, but I can't find it in siesta-4.1-b3. Where can 
I find NQ?




Regards