I think if you do a non-collinear spin calculation, QE prints the spin around each atom on screen., i.e. : ============================================================================== atom number 1 relative position : 0.0000 0.0000 0.0000 charge : 9.813443 magnetization : -0.000086 0.000000 0.000000 magnetization/charge: -0.000009 0.000000 0.000000 polar coord.: r, theta, phi [deg] : 0.000086 90.000000 180.000000
============================================================================== -- Lorenzo Paulatto - Paris On Mar 30 2022, at 4:09 am, Luiz Gustavo Davanse da Silveira via users <users@lists.quantum-espresso.org> wrote: > Dear QE users and developers, > > For non-linear calculations VASP print out on the PROCAR file three > othogonal spin projections at each k point of each band. Is there an way > to obtain the same information from calculations done in QE? > > Best regards, > Luiz G. D Silveira > Associate Professor - UFPR - Brazil > > _______________________________________________ > 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 users@lists.quantum-espresso.org > 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 users@lists.quantum-espresso.org https://lists.quantum-espresso.org/mailman/listinfo/users
