Dear Bo Zhu, the three angles are the Euler angles. I think that implicitly the electron beam goes along the z-axis. You can use the Euler angles to "rotate" your structure so that the beam goes along a different crystallographic orientation.
More about the Euler angles and the way how to rotate your crystal can be found here: http://en.wikipedia.org/wiki/Euler_angles. With regards to LXDOS, go to your wien2k directory, to SRC_lapw2 subdirectory and edit file modules.F. Then recompile lapw2 module (using siteconfig - see the UG) and you can go ahead. With best regards, David bozhu wrote: > Dear Users and Developlers, > > I want to calculate the energy loss near edge structure using telnes.2 > program. I want to take into account > the relative orientation between sample and beam. When I edited the > case.innes, I didn't know the means of > Alpha. Beta. Gamma. I didn't find the topic in mail list and the manual. I > found the name of "K. Jorissen. ELNES > Code Developer's Guide", but did not find it. Can you give me a copy if you > have or tell me what the means of > "Alpha. Beta. Gamma"? > > PS://LXDOS set to 3 > > //Could you please help me with this? Thanks! > > best wishes, > Bo Zhu >