[QE-users] Problem with dos output

Savy B quantum.sim19 at gmail.com
Fri Mar 19 08:07:24 CET 2021


Hello QE users!!

I am trying to found a dos output of a structure. I have used K_POINTS
(automatic) 4 4 4 0 0 0 for both scf and nscf calculations. I have also
calculated the bands for the structure, but when I want to calculate the
dos the following error is showing. Kindly help me with the process. I am
also attaching my dos input.

Error:
tetrahedra integration selected on input can only be used with automatic
uniform k_point meshes.

DOS input:

&DOS
    outdir='./outdir'
    prefix='mos'
    fildos='mos.dos.dat'
/

Kindly help me to overcome this issue.

Sincerely,
Savy.
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