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sloshy
sloshy
2:14 AM
unfreeze ♫ the heat never bothered me anyway🎶
 
 
11 hours later…
QE Maillist
QE Maillist
12:51 PM
users: Re: [QE-users] the 2D structure wrong wrong total_weight
posted on May 18, 2023

2023/05/18 -- Zimmi Singh

 
 
5 hours later…
QE Maillist
QE Maillist
5:25 PM
users: [QE-users] Wavefunction plot in pp.x
posted on May 18, 2023

2023/05/18 -- David Yao ANSI via users

 
 
2 hours later…
EspressoFinder
EspressoFinder
7:00 PM
0
Q: Use Atomic Simulation Environment to set DFT+U parameters with Quantum Espresso

WychhI wish to set the DFT+U parameters (ideally with the Liechtenstein’s formulation) using ASE and the Quantum Espresso calculator. I have seen that the format for QE has been updated to give the Hubbard card: https://www.quantum-espresso.org/Doc/user_guide_PDF/Hubbard_input.pdf. I have looked at us...

quantum-espresso atomic-simulation-environment
 
 
2 hours later…
QE Maillist
QE Maillist
9:13 PM
users: [QE-users] [SPAM] Doubt about Hands-on QE summer school TD-DFT exercise (day 3)
posted on May 18, 2023

2023/05/18 -- José Xavier via users

 

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