Hi Professor, Thank you for your reply. I followed your suggested path and it works now.
Best Hasan On Thu, Oct 31, 2024 at 5:40 AM Lorenzo Paulatto <[email protected]> wrote: > Errata, I put K in the wrong place: > > 0.0000000000 0.0000000000 0.0000000000 Γ > 1.0000000000 0.0000000000 0.0000000000 X > 1.0000000000 1.0000000000 0.0000000000 X > -- k is somewhere here -- > 0.0000000000 0.0000000000 0.0000000000 Γ > 0.5000000000 0.5000000000 0.5000000000 L > > > > (again in units of 2pi/alat) The path is simply: > > > hth > > p.s. I.e. as Stefano said. > > On 30/10/2024 19:34, Md. Jahid Hasan Sagor wrote: > > Hi, > > I calculated phonon dispersion and compared it with other studies. > However, dispersion is matched with every k direction except X-K. Would you > please tell me how to solve the issue? Should I use a different > pseudopotential? I am sharing here the dorg/mailman/listinfo/users > > -- > Dr. Lorenzo Paulatto > IdR @ IMPMC - CNRS UMR 7590 & Sorbonne Université > phone: +33 (0)1 442 79822 / skype: paulatz > http://www.impmc.upmc.fr/~paulatto/ - https://anharmonic.github.io/ > 23-24/423 B115, 4 place Jussieu 75252 Paris CX 05 > > _______________________________________________ > 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 > > -- > Dr. Lorenzo Paulatto > IdR @ IMPMC - CNRS UMR 7590 & Sorbonne Université > phone: +33 (0)1 442 79822 / skype: paulatz > http://www.impmc.upmc.fr/~paulatto/ - https://anharmonic.github.io/ > 23-24/423 B115, 4 place Jussieu 75252 Paris CX 05 > _______________________________________________ > 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
