Re: [QE-users] the units of the phonon linewidth

2023-11-29 Thread Ramesh Kumar Kamadurai via users
Dear ZhouChao The units for phonon linewidth are expressed in GHz in elph.gamma.X files but in gam.lines files it is expressed as THz units. Regards Ramesh GITAM, Vizag, India On Wed, Nov 29, 2023 at 7:33 PM zhouchao via users < users@lists.quantum-espresso.org> wrote: > Dear Quantum ESPRESSO

Re: [QE-users] [QE-GPU] High GPU oversubscription detected

2023-11-29 Thread Paolo Giannozzi
On 11/27/23 11:32, Yin-Ying Ting wrote: Based on the *environment.f90* file, this message is triggered when /nproc > ndev * nnode * 2/. If I understand correctly, I have nproc (Number of parallel processe)=4, ndev(Number of GPU Devices per Node) =4 and nnode (Number of Nodes)=1. This

Re: [QE-users] the units of the phonon linewidth

2023-11-29 Thread Chiara Cignarella via users
Dear zhouchao, in the output file of ph.out with 'electron_phonon'= 'interpolated' or 'simple' you should already have the values of both gamma and lambda, with the corresponding unit of measure. You can find the same information inside elph_dir/elph.inp_lambda*, one for each q point. Note

[QE-users] the units of the phonon linewidth

2023-11-29 Thread zhouchao via users
Dear Quantum ESPRESSO Experts, I hope this message finds you well. I am writing to seek clarification on the units of the phonon linewidth, specifically within the elph.gamma* output in Quantum ESPRESSO. Could you kindly confirm whether the units of the phonon linewidth in elph.gamma* are