Dear Krishnendu, Hi. I add a few words to Prof. Stefano Baroni's reply: Suppose you have a harmonic spring obeying Hook's law, for which the stored energy is E=K*(Δx)^2/2. Here, K plays the role of interatomic force constant. As you see, just knowing K one can not calculate the stored energy unless on knows the value of Δx.
Bests ------------------------------- Mahmoud Payami NSTRI, AEOI,Tehran, Iran Email: [email protected] Phone: +98(0)2182066504 ------------------------------------ ----- Original Message ----- From: Stefano Baroni ([email protected]) Date: 06/01/1403 11:41 To: Quantum ESPRESSO users Forum ([email protected]) Subject: Re: [QE-users] Binding energy and interatomic force constant No. SB ___ Stefano Baroni, Trieste -- http://stefano.baroni.me On 25 Mar 2024, at 07:15, KRISHNENDU MUKHERJEE <[email protected]> wrote: Dear all, Can I compute the binding energy of a nano-crystal from the interatomic force constant ? Thanking you, Best regards, Krishnendu _______________________________________________ The Quantum ESPRESSO community stands by the Ukrainian people and expresses its concerns about the devastating effects that the Russian military offensive has on their country and on the free and peaceful scientific, cultural, and economic cooperation amongst peoples _______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users _______________________________________________ The Quantum ESPRESSO community stands by the Ukrainian people and expresses its concerns about the devastating effects that the Russian military offensive has on their country and on the free and peaceful scientific, cultural, and economic cooperation amongst peoples _______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
_______________________________________________ The Quantum ESPRESSO community stands by the Ukrainian people and expresses its concerns about the devastating effects that the Russian military offensive has on their country and on the free and peaceful scientific, cultural, and economic cooperation amongst peoples _______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
