Dear Vishal Gupta
what is QE version? the same error occured when I was computing band
structure in qe 5.2.0 not 5.1.1.
maybe a older version can solve the problem.
bests
2015-08-21 20:43 GMT+03:00 Vishal Gupta :
> I've been running an SCF calculation for a fee Ni system on High
> performance
I've been running an SCF calculation for a fee Ni system on High
performance cluster.
This system consists of 76 Ni atoms. The job runs fine with processors 7 or
less but it always leads to segmentation fault if the no of processors
exceeds 7.
I asked this doubt last week too and it was suggested t
Dear all,
I am working on transport properties using wannier package. I have
performed its example of BaTiO3 successfully. But when I move onto my
material, scf and nscf run easily in which i have taken 4 4 4 k-point grid
in scf and the k points generated in scf output i put then in nscf input.
th
