I switched software:
QE v6.3 ---> QE v6.4rc
OpenMPI 3.0 ---> OpenMPI 3.1
MKL 11.3.4 ---> MKL 2017
The error is gone.
PS: The important part was actually to switch from the intel compiler to the gnu compiler!
Semiempirical Van der Waals correction and EPW
Moderator: stiwari
Re: Semiempirical Van der Waals correction and EPW
Hi
I did a calculation with vdw_corr='DFT-D' and didn't have any problem.
I hope it is helpful to anyone.
Best Regard
I did a calculation with vdw_corr='DFT-D' and didn't have any problem.
I hope it is helpful to anyone.
Best Regard