Re: [QE-users] Phonon with SOC calculation in ver6.3 and older version

On Mon, Jan 3, 2022 at 4:49 AM Badrul Abidin wrote: I am doing Phonon calculation with spin orbit-coupling, and apparently only > v6.3 is working. Furthermore, the phonon calculation with SOC on newer > version by default is switched off. > I don't think so. There are tests for phonons with spi

[QE-users] Questions on cp.x and pw.x

Dear QE Experts, Hi. 1- I am running a cpmd simulation and would like to constrain the code uses all the values of input parameters (except for atomic positions and velocities) from the original cp.in file. How can I make it? 2- One way to achieve the goal in the 1st question seems to be u