<html><head></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; ">Dear Nand<div><br></div><div>You can integrate each PDOS files to obtain the total PDOS for selecting orbitals by using sumpdos.x. </div><div><br></div><div><div>Below is the output of help message from sumpdos.x; </div><div><br></div><div>./sumpdos.x -h</div><div>----------------------------------------</div><div>USAGE: sumpdos [-h] [-f <filein>] [<file1> ... <fileN>]</div><div> Sum the pdos from the file specified in input and write the sum </div><div> to stdout</div><div> -h : write this manual</div><div> -f <filein> : takes the list of pdos files from <filein> </div><div> (one per line) instead of command line</div><div> <fileM> : the M-th pdos file</div></div><div>---------------------------------------------</div><div><br></div><div>And see also user-guide. </div><div><br></div><div><br></div><div><br></div><div>Hope this helps. </div><div>Haruhiko Dekura</div><div><br></div><div><div>On 2010/07/23, at 14:47, nand wrote:</div><br class="Apple-interchange-newline"><blockquote type="cite"><span class="Apple-style-span" style="border-collapse: separate; font-family: Helvetica; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: 2; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; -webkit-border-horizontal-spacing: 0px; -webkit-border-vertical-spacing: 0px; -webkit-text-decorations-in-effect: none; -webkit-text-size-adjust: auto; -webkit-text-stroke-width: 0px; font-size: medium; "><div><div style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; font-family: 'times new roman', 'new york', times, serif; font-size: 12pt; ">Dear Dr Sclauzero and PW users,<br>Thanks for replying on my last query. Now i would like to know (as a new user) how to integrate a particular column of PDOS file . Is there a tool for that or is done using ones own program.<br>Thanking you in advance.<br><br>Nand Rana<br>Ranchi University.<br>India<span class="Apple-converted-space"> </span><br></div><br>_______________________________________________<br>Pw_forum mailing list<br><a href="mailto:Pw_forum@pwscf.org">Pw_forum@pwscf.org</a><br><a href="http://www.democritos.it/mailman/listinfo/pw_forum">http://www.democritos.it/mailman/listinfo/pw_forum</a><br></div></span></blockquote></div><br></body></html>