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sloshy
sloshy
2:04 AM
♫ the heat never bothered me anyway🎶
 
 
4 hours later…
EspressoFinder
EspressoFinder
5:52 AM
1
Q: Relation between lattice parameter and energy for relaxations

Maulesh VALAWe have been wanting to do relaxation of lattice parameters as a function of the energy. I want to know the mathematical expression for this, and also the theoretical background related to this method. Thank you in advance.

density-functional-theory vasp quantum-espresso ab-initio-calculations optimization
 
 
9 hours later…
QE Maillist
QE Maillist
2:22 PM
users: [QE-users] [QE-GPU] Disable GPU acceleration for some calculations
posted on November 28, 2021

2021/11/28 -- Anson Thomas

users: Re: [QE-users] [QE-GPU] Disable GPU acceleration for some calculations
posted on November 28, 2021

2021/11/28 -- Oliver Generalao

 

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