n 29 Nov 2022, at 13:21, KRISHNENDU MUKHERJEE <[email protected]> wrote:
How many G-vectors are required to describe a plane-wave ? 1 ___ Stefano Baroni, Trieste -- http://stefano.baroni.me It will be very helpful if I could understand the following part of the output that I am getting almost in the beginning. G-vector sticks info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Sum 6181 3093 885 364637 128843 20341 Thank you, Regards, Krishnendu ------------------------------------------------------------------------------------------------------------------------------------------ Actually, all the coefficients of all the wavefunctions AT A GIVEN K POINT: there is one wavefunction file per k point. Paolo On 11/28/22 14:07, Riccardo Piombo uniroma1 via users wrote: > So in a single file QE stores ALL the coefficients of ALL the wfcs? > > Is it correct? > > > Thanks for your help, > > Riccardo Piombo > _______________________________________________ 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
