[QE-users] Problem in ph.x and epw.x (Wrong classes for C_3v) -

2019-06-10 Thread Gopalan, Sanjay
Dear all, I have been trying to calculate el-ph coupling constant for monolayer MoTe2 using QE and EPW. While calculating the phonon energies using ph.x I get error as task # 3 from divide_class : error # 1 Wrong classes for C_3v But when I add the tag

[QE-users] Norm Conserving Pseudopotential - For Tungsten (W) - LDA

2019-04-01 Thread Gopalan, Sanjay
Dear all, I have been trying to get a fully relativistic Norm Conserving LDA pseudopotential for Tungsten(W). The pslibrary versions 1.0.0 and 0.3.1 does not have for Tungsten(W). The pseudopotentials generated from abinit and SG15 by D. R. Hamann contains only PBE. Can anyone give me a link