[QE-users] large memory consumption of ph.x (QE 6.2.1)

Dear all, is it possible that ph.x requires almost 10 times as much memory as a single scf run? I run a job on 5 nodes and 120 cores with a total allocated RAM of 600 GB in and the scf run tells me that Estimated total dynamical RAM > 7.92 GB However the phonon run exceeds the available m

[QE-users] orbital molecule

Hello I want to visualize orbital molecule. what type of calculation should I do? and what software can I use? ___ users mailing list users@lists.quantum-espresso.org https://lists.quantum-espresso.org/mailman/listinfo/users