), Quantum ESPRESSO users Forum (users at
lists.quantum-espresso.org)
Subject: Re: [QE-users] Binding energy and interatomic force constant
Here, I beg to differ. The binding is defined as the energy necessary to bring
all the atoms from their equilibrium position (Δx=0) to an infinite distance
)
Subject: Re: [QE-users] Binding energy and interatomic force constant
Here, I beg to differ. The binding is defined as the energy necessary to bring
all the atoms from their equilibrium position (Δx=0) to an infinite distance
from each other (Δx=\infty). In any harmonic model, evidently, this
lt;mailto:bar...@sissa.it>)
Date: 06/01/1403 11:41
To: Quantum ESPRESSO users Forum
(users@lists.quantum-espresso.org<mailto:users@lists.quantum-espresso.org>)
Subject: Re: [QE-users] Binding energy and interatomic force constant
No. SB
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Stefano Baroni, Trieste -- http://stefano.baroni.me<
3 11:41
To: Quantum ESPRESSO users Forum (users@lists.quantum-espresso.org)
Subject: Re: [QE-users] Binding energy and interatomic force constant
No. SB
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Stefano Baroni, Trieste -- http://stefano.baroni.me
On 25 Mar 2024, at 07:15, KRISHNENDU MUKHERJEE wrote:
Dear all,
Can I compute t
No. SB
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Stefano Baroni, Trieste -- http://stefano.baroni.me
On 25 Mar 2024, at 07:15, KRISHNENDU MUKHERJEE wrote:
Dear all,
Can I compute the binding energy of a nano-crystal from the interatomic force
constant ?
Thanking you,
Best regards,
Krishnendu
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Dear all,
Can I compute the binding energy of a nano-crystal from the interatomic force
constant ?
Thanking you,
Best regards,
Krishnendu
___
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