Please add name and affiliation to your messages. For "how to do something" the best practice is to look for tutorials.
You could google, for example "quantum espresso calculate elastic constants" and find, among the (very many) tutorials, https://courses.grainger.illinois.edu/mse404ela/sp2018/Project2-DFT.pdf Alternatively, I would try to find an "how to do" in the quantum espresso web page, in the section dedicated to tutorials: https://www.quantum-espresso.org/tutorials/ You could makemexperience with the provided examples and then try on your own systems, eventually posting possible problems you encounter while doing your calculations. Giovanni -- Giovanni Cantele, PhD CNR-SPIN c/o Dipartimento di Fisica Universita' di Napoli "Federico II" Complesso Universitario M. S. Angelo - Ed. 6 Via Cintia, I-80126, Napoli, Italy e-mail: giovanni.cant...@spin.cnr.it <giovanni.cant...@spin.cnr.it> Phone: +39 081 676910 Skype contact: giocan74 ResearcherID: http://www.researcherid.com/rid/A-1951-2009 Web page: https://sites.google.com/view/giovanni-cantele/home Il giorno sab 29 mar 2025 alle ore 15:03 Jonathan Konyi Kakulu < konyi.kak...@unilu.ac.cd> ha scritto: > I have get bulk modulus with ev.x . I want to know how to calculate the > C11, C12 and the C44 constant with PWSCF > > Get Outlook for Android <https://aka.ms/AAb9ysg> > > _______________________________________________________________________________ > The Quantum ESPRESSO Foundation stands in solidarity with all civilians > worldwide who are victims of terrorism, military aggression, and > indiscriminate warfare. > > -------------------------------------------------------------------------------- > Quantum ESPRESSO is supported by MaX (www.max-centre.eu) > users mailing list users@lists.quantum-espresso.org > https://lists.quantum-espresso.org/mailman/listinfo/users
_______________________________________________________________________________ The Quantum ESPRESSO Foundation stands in solidarity with all civilians worldwide who are victims of terrorism, military aggression, and indiscriminate warfare. -------------------------------------------------------------------------------- Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list users@lists.quantum-espresso.org https://lists.quantum-espresso.org/mailman/listinfo/users
