Re: [Pw_forum] Query during Fermi surface calculation

2015-12-01 Thread Goranka Bilalbegovic
On Tuesday, 1 December 2015, Giovanni Cantele wrote: > If your output file(s) do not show any error message, it looks like an > error (to much memory used? wall clock limit exceeded in the case you use a > queuing program? …) coming from the operating system, not

[Pw_forum] Query during Fermi surface calculation

2015-11-25 Thread nirav msc
Dear QE users and Developers, I am trying to calculate the fermi surface for my system by following the steps mentioned in example 8. I am using esspresso 5.0.2. First I have done scf calculation, then generates the k-points by kvecs_FS.x for preparing input file for nscf calculation and then