Dear Stefano, Thank you very much for the answer. It was very helpful.
Have a nice day, Regards G. Il giorno ven 4 gen 2019 alle ore 19:33 Stefano de Gironcoli < [email protected]> ha scritto: > The way I understand the documentation is that if you want to start a non > collinear magnetic calculation from the result of a collinear one you can > use the angles defining the magnetic orientation of the first atomic > species (that has no meaning in the collinear case) to rotate the direction > of the collinear magnetization (conventionally along z) in the desired > direction. This applies to the whole space and is just the starting guess. > The subsequent self-consistency will modify it as required by the non > collinear energy minimization, but the closer you start to the right > orientation the better it should be. > > stefano > > > On 03/01/19 11:33, Guido Menichetti wrote: > > Dear experts and developers, > > I am trying to use 'lforcet' flag. > The documentation says that this flag works > only for the rotation of the spin of the atomic type 1: > > "[...] direction described by angle1 > <https://www.quantum-espresso.org/Doc/INPUT_PW.html#angle1> and angle2 > <https://www.quantum-espresso.org/Doc/INPUT_PW.html#angle2> variables for > *atomic type 1" > > > * > > I was wondering if it works also if I rotate more than 1 atom/atomic > species at the same time. > > Thank you for all your work, > Kind Regards > G. > > -- > *************************************** > Guido Menichetti > Post-Doc researcher in Solid State Physics > Istituto Italiano di Tecnologia > Graphene Labs: Theory and technology of 2D materials > Address: Via Morego, 30, 16163 Genova > Email: [email protected] > [email protected] > [email protected] > **************************************** > > _______________________________________________ > users mailing > [email protected]https://lists.quantum-espresso.org/mailman/listinfo/users > > _______________________________________________ > users mailing list > [email protected] > https://lists.quantum-espresso.org/mailman/listinfo/users -- *************************************** Guido Menichetti Post-Doc researcher in Solid State Physics Istituto Italiano di Tecnologia Graphene Labs: Theory and technology of 2D materials Address: Via Morego, 30, 16163 Genova Email: [email protected] [email protected] [email protected] ****************************************
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