Dear all, I would like to run the fatbands analysis for a system with Spin Orbit Coupling. The Util/COOP/fat program works well for collinear calculations, but not for SOC ones: The Systemlabel.fullBZ.WFSX file is not written and a warning is reported in the output: writewave: WARNING: wavefunctions printed is only implemented for nspin = 1 or 2
A file Systemlabel.bands.WFSX is produced, but "fat" crashes in the attempt of reading. I tested with the Test/si_fatband with a relativistic pseudopotential. Does anybody has a fat version for SOC calculations? Thanks and happy new year! Zeila --------------------------------------------------------------- Dr. Zeila Zanolli RWTH Aachen, Institute for Theoretical Solid State Physics ETSF Research Team Leader (http://www.etsf.eu/) Fellow Young Academy of Europe (http://yacadeuro.org/) Mobile: +32 487 556699 Office (RWTH): +49 241 80 27030 Office (ULg): +32 (0)4 366 3636 e-mail: [email protected] web: http://zeilazanolli.wordpress.com/home ResearcherID: http://www.researcherid.com/rid/F-9568-2010 ----------------------------------------------------------------
