<html><head></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><br><div><div>On Apr 12, 2013, at 11:35 AM, Sakhrawi Taoufek wrote:</div><br class="Apple-interchange-newline"><blockquote type="cite"><div><div style="color: rgb(0, 0, 0); background-color: rgb(255, 255, 255); font-family: garamond, 'new york', times, serif; font-size: 14pt; position: static; z-index: auto; "><div>Dear all,</div><div>i use the same for pdos calculation with projwfc.x, it works with espresso-4.3.2 but not with espresso-5.0.1 with the error message : <br></div><div style="color: rgb(0, 0, 0); font-size: 18.6667px; font-family: garamond,new york,times,serif; background-color: transparent; font-style: normal;"><br></div><div style="color: rgb(0, 0, 0); font-size: 18.6667px; font-family: garamond,new york,times,serif; background-color: transparent; font-style: normal;"> Error in routine projwfc (1): reading projwfc namelist</div><div style="color: rgb(0, 0, 0); font-size: 18.6667px; font-family: garamond,new york,times,serif; background-color: transparent; font-style: normal;"><br></div><div style="color: rgb(0, 0, 0); font-size: 18.6667px; font-family: garamond,new
york,times,serif; background-color: transparent; font-style: normal;">my input is : <br></div><div style="color: rgb(0, 0, 0); font-size: 18.6667px; font-family: garamond,new york,times,serif; background-color: transparent; font-style: normal;"> &inputpp<br> prefix='fe',<br> outdir='$outdir',<br> degauss=0.01,<br> Emin=2.0, Emax=22.0, DeltaE=0.1, smoothing=0.3,</div><div style="color: rgb(0, 0, 0); font-size: 18.6667px; font-family: garamond,new york,times,serif; background-color: transparent; font-style: normal;">/</div></div></div>_______________________________________________<br>Pw_forum mailing list<br><a href="mailto:Pw_forum@pwscf.org">Pw_forum@pwscf.org</a><br>http://pwscf.org/mailman/listinfo/pw_forum</blockquote></div><br><div><br class="webkit-block-placeholder"></div><div>
<span class="Apple-style-span" style="border-collapse: separate; color: rgb(0, 0, 0); font-family: Helvetica; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: 2; text-align: -webkit-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; "><span class="Apple-style-span" style="border-collapse: separate; color: rgb(0, 0, 0); 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 style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><span class="Apple-style-span" style="border-collapse: separate; color: rgb(0, 0, 0); font-family: Helvetica; font-size: medium; 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; "><div style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><span class="Apple-style-span" style="border-collapse: separate; color: rgb(0, 0, 0); font-family: Helvetica; font-size: medium; 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; "><div style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><span class="Apple-style-span" style="border-collapse: separate; color: rgb(0, 0, 0); font-family: Helvetica; font-size: medium; 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; "><div>The name of the namelist read from some post-processing tools has been changed (for better clarity) in the more recent versions.</div><div><br></div><div>Replace </div></span></div></span></div></span></div></span></span><span class="Apple-style-span" style="font-family: garamond, 'new york', times, serif; font-size: 19px; ">&inputpp</span></div><div><font class="Apple-style-span" face="garamond, 'new york', times, serif"><span class="Apple-style-span" style="font-size: 19px;">with</span></font></div><div><font class="Apple-style-span" face="garamond, 'new york', times, serif"><span class="Apple-style-span" style="font-size: 19px;">&PROJWFC</span></font></div><div><font class="Apple-style-span" face="garamond, 'new york', times, serif"><span class="Apple-style-span" style="font-size: 19px;"><br></span></font></div><div><font class="Apple-style-span" face="garamond, 'new york', times, serif"><span class="Apple-style-span" style="font-size: 19px;"><br></span></font></div><div><font class="Apple-style-span" face="garamond, 'new york', times, serif"><span class="Apple-style-span" style="font-size: 19px;">You can find more information in</span></font></div><div><font class="Apple-style-span" face="garamond, 'new york', times, serif"><span class="Apple-style-span" style="font-size: 19px;">espresso-5.0.1/PP/Doc/INPUT_PROJWFC.txt</span><br></font><div style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><div style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><span class="Apple-style-span" style="border-collapse: separate; color: rgb(0, 0, 0); font-family: Helvetica; font-size: medium; 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; "><div style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><span class="Apple-style-span" style="border-collapse: separate; color: rgb(0, 0, 0); font-family: Helvetica; font-size: medium; 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; "><div><br></div><div><br></div><div>Giovanni</div><div><br></div><div>--</div><div><div><br></div><div>**** PLEASE NOTICE THE NEW E-MAIL ADDRESS: <a href="mailto:giovanni.cantele@spin.cnr.it">giovanni.cantele@spin.cnr.it</a></div></div><div><br></div><div><div>Giovanni Cantele, PhD</div><div>CNR-SPIN</div><div>c/o Dipartimento di Scienze Fisiche</div><div>Universita' di Napoli "Federico II"</div><div>Complesso Universitario M. S. Angelo - Ed. 6</div><div>Via Cintia, I-80126, Napoli, Italy</div><div>Phone: +39 081 676910</div><div>Skype contact: giocan74</div><div><br></div><div>ResearcherID: <a href="http://www.researcherid.com/rid/A-1951-2009">http://www.researcherid.com/rid/A-1951-2009</a></div><div>Web page: <a href="http://people.na.infn.it/~cantele">http://people.na.infn.it/~cantele</a></div><div> <a href="http://www.nanomat.unina.it">http://www.nanomat.unina.it</a></div></div></span></div></span></div></div>
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