[QE-users] (no subject)

Dear Experts, I am facing a problem in opening a PWscf output file for vc-relax in Xcrysden. In the output file I am getting all the parameters zero when run on server which are as follows: Executing: sh /opt/apps/xcrysden/scripts/dummy.sh /home/p20170414/MnF-Slab/MnF-slab-vc-relax.pw.out Number of

[QE-users] QEGPU Problem

Dear Users I am working with QE-GPU but I am not familiar with how I set the number of GPU cores. Our system is Tesla K80 . Help me please . Mohammadreza Hosseini tarbiat modraes university, Iran ___ users mailing list users@lists.quantum-espresso

[QE-users] Point group symmetry error

Dear Experts, I am facing a problem with point group symmetry error.Actually While doing the vc-relax and scf calculation of Graphene, my relax.out and scf.out file gives wrong point group information D_2h(mmm) rather than d3h(the correct one) and even my scf.out showing a wrong point group informa

[QE-users] Error regarding dvscf file generation in pH.x calculation

Dear Experts, While doing the phonon dispersion calculation keeping fildvscf='dvscf' and lqdir=.True.,I am not getting the dvscf files at the output.I am having 20q points and 20 .dyn files and I must have 20 dvscf files.But instead of 20 dvscf files,I am getting only one.Can anyone tell me that wh