<div>Hi Mr Udai,</div> <div> You can see flow of charge in case.outputst file and for other questions I will suggest you to read userguide and DFT-LAPW notes.</div> <div>Best wishes.</div> <div> Swati<BR><BR><B><I>Udai Verma <upv@airtelbroadband.in></I></B> wrote:</div> <BLOCKQUOTE class=replbq style="PADDING-LEFT: 5px; MARGIN-LEFT: 5px; BORDER-LEFT: #1010ff 2px solid"><BR>Dear all wien2k user's,<BR><BR>I really want your help please answer my few question.<BR><BR>in the output files i don't know where the flow of charge is located?<BR>then where is the value of N(Ef) ie the no. of DOS at Ef? could u please<BR>tell me in what files these are all loacted and where?<BR><BR>and while optimization how do we choose the k-points, lmax, Gmax., at<BR>what basis we have to choose these all? is there any specific point on<BR>that?<BR><BR>from case.scf file how I can get the information about the direct<BR>indirect band
gap.<BR><BR>Thanks in advance<BR><BR><BR><BR>_______________________________________________<BR>Wien mailing list<BR>Wien@zeus.theochem.tuwien.ac.at<BR>http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien<BR></BLOCKQUOTE><BR>