coarse k-mesh needs to be strictly positive in 1st BZ

sdwang · Post by **sdwang** » Tue Dec 19, 2017 11:15 am

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

Post by **sponce** » Wed Dec 20, 2017 2:13 pm

Dear Shudong,

The nscf calculation that you do just before EPW should be done on an homogeneous grid between 0 and 1.

Best,
Samuel

sdwang · Post by **sdwang** » Thu Dec 21, 2017 6:30 am

Thank you Samuel,
I have fixed it by setting nosy=.true.' in the nscf input file.

Best,

Shudong

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coarse k-mesh needs to be strictly positive in 1st BZ

coarse k-mesh needs to be strictly positive in 1st BZ

Re: coarse k-mesh needs to be strictly positive in 1st BZ

Re: coarse k-mesh needs to be strictly positive in 1st BZ