« first day (693 days earlier)      last day (548 days later) » 

QE Maillist
QE Maillist
9:19 AM
users: [QE-users] Why do I get multiple imaginary frequencies using nat-todo in QE 6.4
posted on November 18, 2022

2022/11/18 -- Yang-Caiyu via users

 
 
2 hours later…
QE Maillist
QE Maillist
11:26 AM
users: [QE-users] Help
posted on November 18, 2022

2022/11/18 -- osawlo safi

 
 
2 hours later…
EspressoFinder
EspressoFinder
1:00 PM
0
Q: how to perform calc to ecutwfc and ecutrho in Quantum ESPRESSO

Everson GomesPeople I am using a script to calculate the best ecutwfc value for my system, however, what should be the value for ecutrho? My script should test different values for ecutrho too or I do not need to put this variable in my input file during tests?

quantum-espresso materials-design
 
 
6 hours later…
QE Maillist
QE Maillist
6:37 PM
users: Re: [QE-users] ERROR(FoX) xml_AddAttribute: Invalid character in value
posted on November 18, 2022

2022/11/18 -- Mahmoud Payami Shabestari via users

 

« first day (693 days earlier)      last day (548 days later) »