<div dir="ltr"><br><div class="gmail_extra"><br><div class="gmail_quote">On Fri, Apr 22, 2016 at 11:02 AM, Marc Blanchard <span dir="ltr"><<a href="mailto:marc.blanchard@impmc.upmc.fr" target="_blank">marc.blanchard@impmc.upmc.fr</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div style="word-wrap:break-word"><br><div>To correct the bug:<br>1) The first instruction in both routines is<br>     IF (nsym == 1) RETURN<br>  This should be changed (in both routines) with<br>    IF (nsym >= 1) THEN<br></div></div></blockquote><div><br></div><div>"If (nsym > 1  THEN", I guess, or else the IF is completely useless. Could you please point to a (simple!) example showing the bug? thank you<br><br></div><div>Paolo<br></div><div><div style="word-wrap:break-word"><div><br>2) then, you should add the line<br>    END IF<br>before the  comment "Bring to cartesian axis"</div><div><br></div><div><br></div><div>Best regards</div><div><span style="white-space:pre-wrap">    </span></div><div><span style="white-space:pre-wrap"> </span>Marc Blanchard & Michele Lazzeri</div><div><br><div> <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;text-align:-webkit-auto;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;font-size:medium"><div style="word-wrap:break-word"><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;text-align:-webkit-auto;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;font-size:medium"><div style="word-wrap:break-word"><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;text-align:-webkit-auto;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;font-size:medium"><div style="word-wrap:break-word"><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;text-align:-webkit-auto;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;font-size:medium"><div style="word-wrap:break-word"><span style="text-align:-webkit-auto;text-indent:0px"><div style="word-wrap:break-word"><span style="text-align:-webkit-auto;text-indent:0px"><div style="word-wrap:break-word"><span style="text-align:-webkit-auto;text-indent:0px"><div style="word-wrap:break-word"><span style="text-indent:0px"><div style="word-wrap:break-word"><span style="text-indent:0px"><div style="word-wrap:break-word"><span style="text-indent:0px"><div style="word-wrap:break-word"><span style="text-indent:0px"><div style="word-wrap:break-word"><span style="text-indent:0px"><div style="word-wrap:break-word"><div><div style="word-wrap:break-word"><div style="word-wrap:break-word"><div style="border-collapse:separate;color:rgb(0,0,0);font-family:Helvetica;font-size:12px;font-style:normal;font-variant:normal;font-weight:normal;letter-spacing:normal;line-height:normal;text-transform:none;white-space:normal;word-spacing:0px">___________________________</div><div style="border-collapse:separate;color:rgb(0,0,0);font-family:Helvetica;font-size:12px;font-style:normal;font-variant:normal;font-weight:normal;letter-spacing:normal;line-height:normal;text-transform:none;white-space:normal;word-spacing:0px">Dr Marc Blanchard</div><div style="border-collapse:separate;color:rgb(0,0,0);font-family:Helvetica;font-size:12px;font-style:normal;font-variant:normal;font-weight:normal;letter-spacing:normal;line-height:normal;text-transform:none;white-space:normal;word-spacing:0px">Equipe de Minéralogie Environnementale</div><div style="border-collapse:separate;color:rgb(0,0,0);font-family:Helvetica;font-size:12px;font-style:normal;font-variant:normal;font-weight:normal;letter-spacing:normal;line-height:normal;text-transform:none;white-space:normal;word-spacing:0px">Institut de Minéralogie, de Physique des Matériaux et de Cosmochimie (IMPMC)</div><div style="border-collapse:separate;color:rgb(0,0,0);font-family:Helvetica;font-size:12px;font-style:normal;font-variant:normal;font-weight:normal;letter-spacing:normal;line-height:normal;text-transform:none;white-space:normal;word-spacing:0px">UPMC - Sorbonne Universités</div><div style="border-collapse:separate;color:rgb(0,0,0);font-family:Helvetica;font-size:12px;font-style:normal;font-variant:normal;font-weight:normal;letter-spacing:normal;line-height:normal;text-transform:none;white-space:normal;word-spacing:0px">Tour 23 - Couloir 23/24 - 4e étage - Bureau 23</div><div style="border-collapse:separate;color:rgb(0,0,0);font-family:Helvetica;font-size:12px;font-style:normal;font-variant:normal;font-weight:normal;letter-spacing:normal;line-height:normal;text-transform:none;white-space:normal;word-spacing:0px">Case courrier 115</div><div style="border-collapse:separate;color:rgb(0,0,0);font-family:Helvetica;font-size:12px;font-style:normal;font-variant:normal;font-weight:normal;letter-spacing:normal;line-height:normal;text-transform:none;white-space:normal;word-spacing:0px">4 place Jussieu</div><div style="border-collapse:separate;color:rgb(0,0,0);font-family:Helvetica;font-size:12px;font-style:normal;font-variant:normal;font-weight:normal;letter-spacing:normal;line-height:normal;text-transform:none;white-space:normal;word-spacing:0px">75252 Paris Cedex 05</div><div style="border-collapse:separate;color:rgb(0,0,0);font-family:Helvetica;font-size:12px;font-style:normal;font-variant:normal;font-weight:normal;letter-spacing:normal;line-height:normal;text-transform:none;white-space:normal;word-spacing:0px">Tel: <a href="tel:%2B33%20%280%291%2044%2027%2098%2022" value="+33144279822" target="_blank">+33 (0)1 44 27 98 22</a></div><div style="border-collapse:separate;color:rgb(0,0,0);font-family:Helvetica;font-size:12px;font-style:normal;font-variant:normal;font-weight:normal;letter-spacing:normal;line-height:normal;text-transform:none;white-space:normal;word-spacing:0px">Fax: <a href="tel:%2B33%20%280%291%2044%2027%2037%2085" value="+33144273785" target="_blank">+33 (0)1 44 27 37 85</a></div><div><a href="http://www.impmc.upmc.fr/~blanchard/" target="_blank">http://www.impmc.upmc.fr/~blanchard/</a></div></div></div></div></div></span></div></span></div></span></div></span></div></span></div></span></div></span></div></span></div></span></div></span></div></span></div></span> </div><br></div></div><br>_______________________________________________<br>
Pw_forum mailing list<br>
<a href="mailto:Pw_forum@pwscf.org">Pw_forum@pwscf.org</a><br>
<a href="http://pwscf.org/mailman/listinfo/pw_forum" rel="noreferrer" target="_blank">http://pwscf.org/mailman/listinfo/pw_forum</a><br></div></div><br><br clear="all"><br>-- <br><div class="gmail_signature"><div dir="ltr"><div><div dir="ltr"><div>Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,<br>Univ. Udine, via delle Scienze 208, 33100 Udine, Italy<br>Phone +39-0432-558216, fax +39-0432-558222<br><br></div></div></div></div></div>
</div></div>