[QE-users] pw2wannier90.x input error

Dear Quantum espresso users, I am trying to run pw2wannier90.x with following input file from example form quantum espresso PP folder. However I am getting following error. outdir = '$TMP_DIR/' prefix = 'di' seedname = 'diamond.sa' spin_component = 'none' write_mmn =

[QE-users] "Error in routine set_irr_sym_new" with phonon qe 6.2 to 6.4.1

Dear PWSCF users, I am trying to compute phonon properties of a garnet (spacegroup Ia-3d) structure, and the computation is working perfectly well with version 5.3.0, but I have an error message for versions 6.2, 6.3MaX, 6.4 and 6.4.1 (I did not compile 6.5, yet):

[QE-users] CIGS

Dear users, I am new to quantum espresso. I need to find the band structure of Copper Indium Gallium Diselenide. I am having problem to write the input file, how shall I specify the atomic position? How shall I proceed? Thanks Fariba Islam Bangladesh University of Engineering and Technology

Re: [QE-users] Dipole correction: electrostatic potential partially corrected

Thank you for your detailed explanation Regards, Pacome Ph.D. Candidate Computational Condensed Matter Physics University of Cape Town (UCT), South Africa ___ Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso) users mailing list