[QE-users] Error in mpirun with gpu accelertated version of QE

Hello everyone, I have configured the latest version of gpu accelerated QE 6.7. I have installed cuda toolkit, nvidia driver and PGI compiler. but pw.x is not running in my gpu. I use following command to run in gpu accelaeratiion mode: mpirun -use-hwthread-cpus '/home/savy/qe-gpu-6.7/bin/pw.x'

[QE-users] A DFPT equation

Hi users, I had a question about one of the DFPT equations in Baroni et al. "Phonons and related crystal properties from DFPT." I was unsure about posting this question here because most of the questions here are about using QE, but I choose to do so since DFPT is implemented in QE, the authors ar

[QE-users] workaround for projwfc with SG15 ONCV

Hi, I ran a calculation using SG15 ONCV pseudopotentials (for one of the elements) which don't have the PSWFC section for projwfc.x. My system contains Pb and I atoms, out of the pseudopotential for I was taken from https://github.com/pipidog/ONCVPSP (FR SG