[QE-users] Memory issues using pw.x

Hi, I am sending this message as I am running into some issues when trying to perform a pw.x calculation. I am using a hybrid approach, with the flag input_dft = b3lpyv1r. The first SCF calculation can be performed, however when it comes to introducing the hybrid correction the program stops w

[QE-users] Phonon calculation not converging with vdw-df2-b86r

Dear QE developers and users, I’m currently trying to compute the phonon dispersion of a 2d material with the vdw-df2-b86r functional. I have fully relaxed the structure and made sure that it is indeed a semiconductor (PBE gap > 3eV). However, the Electric Field Calculation by ph.x does not rea

Re: [QE-users] Download old versions of QE

On 16/01/2023 16:31, Nicola Marzari via users wrote: I have 4.0.5 and 4.3.2, but not 4.1 - happy to contribute those (would be great to have a historical record of the evolution of the code). Most old versions are actually available (see attached list of v.<5) although some packages of some