[Wien] Is the Non-collinear magnetic (NCM) version of WIEN2k limited to a maximum number of atoms?

Hi, I successfully ran a NCM WIEN2k calculation of a unit cell containing 28 atoms. Now I wish to run a super cell NCM WIEN2k calculation with 112 atoms. My procedure for obtaining initialization files for the super cell calculation are identical to that of the unit cell calculation. However, I

[Wien] Non-Collinear Magnetism (NCM) and Wien2k

Dr Laskowski, Thank you for the informative reply. Respectfully, JLB -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120824/5a75639e/attachment.htm

[Wien] Non-Collinear Magnetism Wien2k

All, Questions 1) When setting up a non-collinear calculation there is no need to distinguish up and down spin magnetic ions. Therefore, like magnetic ions share identical election configurations in case.inst. In the file case.inncm the relative arrangement of a pair spins are designated. Is this