Dear users, I am trying to perform a gipaw calculation but it finishes with the error:
"Error in routine gipaw_main (1): non-collinear not supported yet" The input is: &inputgipaw job = 'g_tensor' , prefix = 'scf-GIPAW' tmp_dir = '....' diagonalization = 'cg' verbosity = 'high' q_gipaw = 0.01 spline_ps = .true. / Is that error means that non-collinear magnetization is not yet implemented for gipaw calculation? If yes, how can I perform such a calculation, taking into account the spin-orbit coupling? Thank you in advance Maria Tassi -- Dr. Maria Tassi Post-Doctoral Researcher National and Kapodistrian University of Athens, Faculty of Physics, Department of Solid State Physics, Panepistimiopolis, Zografos, GR-15784 Athens, Greece E-mail: [email protected] Tel.: +30 210 7276758 Mobile: +30 6932131934 Fax : +30 210 7276711 _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
