Dear Xavier
Thank you for the detailed information. Yes I have already used pseudo
potential from the PseudoDojo library and observed exactly what you have
described. After the VC-relax the verification the verification scf
calculation showed a completely different pressure tensor. I did
not increa
Dear Kondrin
Thank you for your suggestion. I actually followed the S Ponce lecture
notes from the following link to calculate el-ph coupling constant.
https://indico.ictp.it/event/8301/session/96/contribution/534/material/0/0.pdf.
But in your message here
https://lists.quantum-espresso.org/piperma
Dear Quantum Espresso Forum,
I encountered a problem related to the parallel computing using QE7.1
for vc-relax.
I was trying to perform a vc-relax for a 3*3*3 BCC tungsten super cell.
The code works fine for non-parallel computing, also works fine for
parallel computing if the number of pro
Hello all,
I have encountered a weird error with virtual_v2.x in QE v7.1
I get the following when I try to mix any two US pseuso potentials:
%%
Error in routine Virtual (1):
different rinner are not implemen
