[Wien] find the error in the XMCD

2012-11-04 Thread Rocquefelte
In a first step, did you look at this paper for Robert Laskowski and Peter Blaha? http://publik.tuwien.ac.at/files/PubDat_188807.pdf It could be a very good idea to first reproduce one of their results. Then you will know if the procedure you apply is OK. In particular, you will see their DFT

[Wien] find the error in the XMCD

2012-11-03 Thread mourad boujnah
Dear WIEN2k users and developers, I followed the procedure to install the version 12.1 of Wien2k code it works very good . but when i start to compute the optical properties of ZnTe doped with transitions element (XMCD) i just validate some theoretical result, i find in ZnTe doped with Cr and Ti a