[Wien] (no subject)

Dear all  please help me, how to optimized the structure for tetragonal and orthorhombic  symmetry  with best regards kkhan ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the

Re: [Wien] decomposing the ELNES or (DOS)

This is not true. You can rotate z eg by 45 degrees in y direction with vector (0 1 1), or in any other angle by using an appropriate lattice vector (like (0,1,10) for a small tilt, ) On 08/06/2014 07:52 AM, Hajar Nejati wrote: Dear Dr. Blaha thank you for your replying I study the wien