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QE Maillist
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EspressoFinder
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Q: How to construct thin film structure of desired thickness in quantum espresso?

UJMI want to study the properties of thin films using DFT calculation. I have done the bulk crystal calculations in Quantum ESPRESSO but have no idea how can I construct the thin film of desired thickness. What changes do I have to make in PWscf input file. Please help me with how can I do this. Tha...

density-functional-theory quantum-espresso 2d-lattice supercell monolayer
 
 
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QE Maillist
QE Maillist
6:04 AM
 
 
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QE Maillist
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11:39 AM
users: Re: [QE-users] Polarization calculation using nscf
posted on June 23, 2022

2022/06/23 -- Amar Singh via users

 
 
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QE Maillist
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12:55 PM
users: Re: [QE-users] Polarization calculation using nscf
posted on June 23, 2022

2022/06/23 -- Lucian D. Filip

 
 
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QE Maillist
QE Maillist
2:11 PM
users: [QE-users] Phonons on Pt(111) electrode
posted on June 23, 2022

2022/06/23 -- Tom Demeyere

 

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