Re: [QE-users] open_grid for epsilon.x

2022-11-01 Thread Lorenzo Paulatto
Hello Aleksandra, if you do NOT use k-points parallelization (i.e. -k 1) simulating with more k-points for a standard local functional will take longer, but won't require more resources. Furthermore, open_grid.x is really only convenient on top of a hybrid functional calculation (pbe0, hse)

[QE-users] open_grid for epsilon.x

2022-10-29 Thread Aleksandra Oranskaia
Dear users and developers, Did anybody succeed with the oped_grid.x code for LDA/GGA/vdw functionals? I want to use epsilon.x for a big system (for which I do not have enough computational resources to switch-off the symmetry for k-grid in scf calculation), I am trying open_grid.x and the code