[Wien] optics calculation with spin orbit coupling

2012-06-29 Thread soumyajyoti haldar
Dear Prof. Blaha thank you for your reply. /Soumyajyoti -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120629/ff31cea9/attachment.htm

[Wien] optics calculation with spin orbit coupling

2012-06-28 Thread soumyajyoti haldar
Dear Wien2k users and Prof. Blaha I am trying to calculate magneto-optical properties of some 3d transition metal. For this purpose we need to do spin orbit coupling calculation first. For normal optics calculation with spin-polarization option we need to do addjoint_lapw to join

[Wien] optics calculation with spin orbit coupling

2012-06-28 Thread Peter Blaha
No, you don't need addjoint. Am 28.06.2012 19:27, schrieb soumyajyoti haldar: Dear Wien2k users and Prof. Blaha I am trying to calculate magneto-optical properties of some 3d transition metal. For this purpose we need to do spin orbit coupling calculation first. For normal optics