<html><head></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; ">Dear Yuyang,<div><br></div><div>Please read user guide, page 56.</div><div><br></div><div><div><div>On 23 Feb, 2011, at 05:13, YY wrote:</div><br class="Apple-interchange-newline"><blockquote type="cite"><meta charset="utf-8"><div style="border-collapse: collapse; font-family: arial, sans-serif; font-size: 13px; ">Dear All,</div><div style="border-collapse: collapse; font-family: arial, sans-serif; font-size: 13px; "><br></div>
<div style="border-collapse: collapse; font-family: arial, sans-serif; font-size: 13px; ">After the scf calculation, I try to use projwfc.x to calculate the PDOS, but get an error message like this:</div><div><div><font class="Apple-style-span" face="arial, sans-serif"><span class="Apple-style-span" style="border-collapse: collapse;"> Calling projwave .... </span></font></div>
<div><font class="Apple-style-span" face="arial, sans-serif"><span class="Apple-style-span" style="border-collapse: collapse;"> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</span></font></div>
<div><font class="Apple-style-span" face="arial, sans-serif"><span class="Apple-style-span" style="border-collapse: collapse;"> from davcio : error # 10</span></font></div><div><font class="Apple-style-span" face="arial, sans-serif"><span class="Apple-style-span" style="border-collapse: collapse;"> error while reading from file</span></font></div>
<div><font class="Apple-style-span" face="arial, sans-serif"><span class="Apple-style-span" style="border-collapse: collapse;"> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</span></font></div>
</div><div style="border-collapse: collapse; font-family: arial, sans-serif; font-size: 13px; "><br></div><div style="border-collapse: collapse; font-family: arial, sans-serif; font-size: 13px; ">I am sure the inputfile is right and the related files exists, because I can calculate total DOS by dos.x correctly.</div>
<div style="border-collapse: collapse; font-family: arial, sans-serif; font-size: 13px; ">I search the archive of this forum, the same problem was report several times, but no clear answer.</div><div><font class="Apple-style-span" face="arial, sans-serif"><span class="Apple-style-span" style="border-collapse: collapse;">I compiled pw.x and projwfc.x from the same version source code (v4.2.1).</span></font></div>
<div><font class="Apple-style-span" face="arial, sans-serif"><span class="Apple-style-span" style="border-collapse: collapse;">No matter I use 1 CPU or the same number CPUs as used in pw.x, I get the same error message.</span></font></div></blockquote><div><br></div><div>Either use wf_collect = .t. or use the same number CPUs as used in pw.x</div><div><br></div><div>I suggest you to check if outdir and prefix are the same first.</div><div><br></div><div>Best wishes,</div><div>Changru</div></div><br><div>
<span class="Apple-style-span" style="border-collapse: separate; color: rgb(0, 0, 0); font-family: STHeiti; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: 2; text-align: auto; 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; ">---<br>Changru Ma<br>SISSA & Theory@Elettra group<br>email: <a href="mailto:crma@sissa.it">crma@sissa.it</a><br>tel: +39 040 375 8713 (Elettra)<br> +39 040 378 7870 (SISSA)<br><a href="http://www.sissa.it/~crma">http://www.sissa.it/~crma</a><br>---</span>
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