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</o:shapelayout></xml><![endif]--></head><body lang=EN-US link=blue vlink=purple><div class=WordSection1><p class=MsoNormal>Greetings,<o:p></o:p></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal>I’m trying to run dos.x (using v4.2.1) but it keeps coming up with an iotk error that it can’t find any evc.dat files in the K* directories of prefix.save. Since the cell is pretty big I deleted the evc.dat files some time ago (after I calculated the projected LDOS) so my admin wouldn’t complain about using so much hard-drive space. I just wanted to do a quick calculation of the total DOS calculation with a smaller degauss.<o:p></o:p></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoListParagraph style='text-indent:-.25in;mso-list:l0 level1 lfo1'><![if !supportLists]><span style='mso-list:Ignore'>1.<span style='font:7.0pt "Times New Roman"'> </span></span><![endif]>Why would a calculation of the *<b>total</b>* DOS, not projected LDOS, want the eigenvectors?? The total DOS should only depend on the eigenvalues, k-point weights and a gaussian smearing factor.<o:p></o:p></p><p class=MsoListParagraph style='text-indent:-.25in;mso-list:l0 level1 lfo1'><![if !supportLists]><span style='mso-list:Ignore'>2.<span style='font:7.0pt "Times New Roman"'> </span></span><![endif]>Is there a way to get around this without having to recalculate the eigenvectors? I thought I could just delete any references to the evc.dat files in data-file.xml, but that just came up with another iotk read error.<o:p></o:p></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal>I know I can just grab the eigenvalues and weights and do this myself (just add up a series of properly weighted gaussians, one at each eigenvalue) … but that seems to defeat the purpose of having a standardized code. <span style='font-family:Wingdings'>J</span><o:p></o:p></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal>Cheers,<o:p></o:p></p><p class=MsoNormal>J. D.<o:p></o:p></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal>************************************<o:p></o:p></p><p class=MsoNormal>J. D. Burton, Ph.D.<o:p></o:p></p><p class=MsoNormal><a href="mailto:jdburton1@gmail.com">jdburton1@gmail.com</a><o:p></o:p></p><p class=MsoNormal>University of Nebraska Lincoln<o:p></o:p></p><p class=MsoNormal>Physics and Astronomy<o:p></o:p></p><p class=MsoNormal>Office Ph. (402) 472 2499<o:p></o:p></p><p class=MsoNormal>Mobile Ph. (402) 419 9918<o:p></o:p></p><p class=MsoNormal>310A Jorgensen Hall<o:p></o:p></p><p class=MsoNormal><span style='font-size:10.0pt;font-family:"Verdana","sans-serif";color:black'>CV: <a href="http://tinyurl.com/2avltsc">http://tinyurl.com/2avltsc</a></span><o:p></o:p></p><p class=MsoNormal>************************************<o:p></o:p></p><p class=MsoNormal>"The job of a scientist is to generate wrong ideas as fast as possible."<o:p></o:p></p><p class=MsoNormal>-- Murray Gell-Mann<o:p></o:p></p><p class=MsoNormal><o:p> </o:p></p></div></body></html>