[Pw_forum] Non-collinear magnetism and gamma

Lucas Fernandez Seivane quevedin at gmail.com
Mon Feb 13 14:27:23 CET 2006


Hi to everybody in the list.

Is it possible to calculate a magnetic finite material (let's say a
molecule) in PWSCF using the gamma-point optimized algorithms? I have
to put
   K_POINTS
 1
 0.0 0.0 0.0 1.0
instead of
   K_POINTS {gamma}

in order to get it running

Best Wishes

Lucas Fernández Seivane
Departamento de Física, Universidad de Oviedo



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