Dear Ramesh,
Yes, you are right. If you include option la2F=.true. Matdyn.x program will
calculate lambda file. All examples in tuturial of S. Ponce include this
option. Resulting lambda file is presented in page 7 of the same tutorial.
Sincerely yours,
M. Kondrin
On Oct 28 2022, Ramesh
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
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
@lists.quantum-espresso.org
Subject: [QE-users] Electron Phonon
Calculation: tolerance limit for P
Dear users I am trying to calculate el-Ph coupling constant and other
properties for a superconductor. The input file is attached. I am a bit
stuck with VC-Relax calculation as the system is not able
users
Sent: Thursday, October 27, 2022 3:23 AM
To: users@lists.quantum-espresso.org
Subject: [QE-users] Electron Phonon Calculation: tolerance limit for P
Dear users
I am trying to calculate el-Ph coupling constant and other properties for a
superconductor. The input file is attached. I am a bit
Dear Ramesh,
It seems to me that some small negative values in phonon calculations is
unavoidable. They occur rather sporadically (especially for acoustic
modes in Gamma point) and the best way to deal with them is just ignore
them. For electron-phonon calculations it is better not to use
Dear users
I am trying to calculate el-Ph coupling constant and other properties for a
superconductor. The input file is attached. I am a bit stuck with VC-Relax
calculation as the system is not able to stabilize at 0.0 kbar. I followed
all the suggestions given in forum
1. Increased Cut-off to
