Hello Sikander, I was thinking about the problem and I am sure that you have probably again run the init_lapw script and accepted the suggestions it gives to you. I think you must be sure that the structure file you specify as input file in x supercell is Primitive unit cell and not CYZ unit cell. Was this the case? Best regards Tomas
Dear Tomas I changed CYZ by P, but it does not work. with best regards sikander Dear All please help me I am making the supercell, when i give x supercell command then i get this problem Filename of struct file: case.struct Fatal Error occured: Unknown lattice type: CYZ Program terminated. 0.000u 0.008s 0:14.57 0.0% 0+0k 0+0io 0pf+0w with regards sikander _______________________________________________ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html _______________________________________________ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html