Dear developers,
I met a problem as
' from epw_setup : error # 1
coarse k-mesh needs to be strictly positive in 1st BZ'
when I ran epw.4.1 in QE 6.2.
What the corase k-mesh mentioned in the error?
Thanks!
Shudong
coarse k-mesh needs to be strictly positive in 1st BZ
Moderator: stiwari
Re: coarse k-mesh needs to be strictly positive in 1st BZ
Dear Shudong,
The nscf calculation that you do just before EPW should be done on an homogeneous grid between 0 and 1.
Best,
Samuel
The nscf calculation that you do just before EPW should be done on an homogeneous grid between 0 and 1.
Best,
Samuel
Prof. Samuel Poncé
Chercheur qualifié F.R.S.-FNRS / Professeur UCLouvain
Institute of Condensed Matter and Nanosciences
UCLouvain, Belgium
Web: https://www.samuelponce.com
Chercheur qualifié F.R.S.-FNRS / Professeur UCLouvain
Institute of Condensed Matter and Nanosciences
UCLouvain, Belgium
Web: https://www.samuelponce.com
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sdwang
Re: coarse k-mesh needs to be strictly positive in 1st BZ
Thank you Samuel,
I have fixed it by setting nosy=.true.' in the nscf input file.
Best,
Shudong
I have fixed it by setting nosy=.true.' in the nscf input file.
Best,
Shudong