Dear David Holec, Very thanks David Holec. I will try them.
Can anyone send me a copy of "K. Jorissen. ELNES Code Developer's Guide", I want to know more about the parameters. best regards, Bo Zhu David Holec wrote: > 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 >> >> > > _______________________________________________ > Wien mailing list > Wien at zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > >
