[Wien] Supercell calculations

[AJAY SINGH VERMA]

hello all,can any one tell me how to use supercell calculations for bulk.I tried it, for ZnS for which i have 2 atom in unit cell, made 2X1X1 supercell, the super.struct contains 16 atoms..How??not understandingMoreover, I had to make changes in it..Let one Zn is replaced by Indium..The calculation proceeds in a strange way..calculations give struct file in between init_lapw.. which shows one atom number less than the atoms in the supercell.struct1)Is that net considering Indium ?2)If i had to change the name of the file to ZnSIn after doping one Indium atom?
Please help..I am not been able to do calculations..moreover i dont get a proper tutorial for this?waiting for the responseAjay 		 	   		  
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