CCL: MOs in top_grid

From: cristina ramirez <farmramirez]^[yahoo.com.ar>
Subject: CCL: MOs in top_grid
Date: Sat, 31 Mar 2012 17:06:29 -0700 (PDT)
Thank u very much 4 your help
 Sincerely
 Cris
  
 Dra. Ramirez Cristina L.
 Grupo de Dispositivos Moleculares
 Dpto. de Química; FCEyN.
 Universidad Nacional de Mar del Plata
 Dean Funes 3350. (B7602AYL)
 Mar del Plata. ARGENTINA
 T.E: #54 0223 4756167
 ________________________________
  De: K.Radacki K.Radacki[#]uni-wuerzburg.de <owner-chemistry\a/ccl.net>
 Para: "Ramirez, Cristina " <farmramirez\a/yahoo.com.ar>
 Enviado: sábado, 31 de marzo de 2012 9:24
 Asunto: CCL: MOs in top_grid
 Sent to CCL by: "K.Radacki" [K.Radacki ~~ uni-wuerzburg.de]
 On 3/30/2012 3:08 PM, Cristina Ramirez farmramireza/yahoo.com.ar wrote:
 > Sent to CCL by: "Cristina  Ramirez"
 [farmramirez-#-yahoo.com.ar]
 > Good morning. I'm using Topmod to calculate the ELF, and at the
 "top_grid" step I get this message: "number of molecular orbitals
 too large. set maxorb to 389 and recompile".
 > 389 is my system's number of MOs.
 > Can anyone tell me where should I change this maxorb comand? It's not on
 the makefile or the runtest file.
 > Thank you very much for any help.
 in param.inc file change the line below
 parameter (maxorb=600, maxatoms=200, maxcell=64481201)
 chhers, kris
 >
 > Cristina
 > farmramirez(~)yahoo.com.ar
 >
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 <html><body><div style="color:#000; background-color:#fff;
 font-family:arial, helvetica,
 sans-serif;font-size:10pt"><div><span>Thank u very much 4
 your
 help</span></div><div><span>Sincerely</span></div><div><span>Cris<br></span></div><div><span></span></div><div>&nbsp;</div><div><span
 style="font-family:bookman old style, new york, times,
 serif;font-style:italic;">Dra. Ramirez Cristina L.</span><br
 style="font-family:bookman old style, new york, times,
 serif;font-style:italic;"><span style="font-family:bookman old
 style, new york, times, serif;font-style:italic;">Grupo de Dispositivos
 Moleculares</span><br style="font-family:bookman old style, new
 york, times, serif;font-style:italic;"><span
 style="font-family:bookman old style, new york, times,
 serif;font-style:italic;">Dpto. de Química;
 FCEyN.</span><br style="font-family:bookman old style, new york,
 times, serif;font-style:italic;"><span
 style="font-family:bookman old style, new york, times,
  serif;font-style:italic;">Universidad Nacional de Mar del
 Plata</span><br style="font-family:bookman old style, new york,
 times, serif;font-style:italic;"><span
 style="font-family:bookman old style, new york, times,
 serif;font-style:italic;">Dean Funes 3350. (B7602AYL)</span><br
 style="font-family:bookman old style, new york, times,
 serif;font-style:italic;"><span style="font-family:bookman old
 style, new york, times, serif;font-style:italic;">Mar del Plata.
 ARGENTINA</span><br style="font-family:bookman old style, new
 york, times, serif;font-style:italic;"><span
 style="font-family:bookman old style, new york, times,
 serif;font-style:italic;">T.E: #54 0223
 4756167</span></div><div><br></div>  <div
 style="font-family: arial, helvetica, sans-serif; font-size:
 10pt;"> <div style="font-family: times new roman, new york,
 times, serif; font-size: 12pt;"> <div dir="ltr">
 <font face="Arial" size="2"> <hr
 size="1">  <b><span
  style="font-weight:bold;">De:</span></b> K.Radacki
 K.Radacki[#]uni-wuerzburg.de &lt;owner-chemistry\a/ccl.net&gt;<br>
 <b><span style="font-weight:
 bold;">Para:</span></b> "Ramirez, Cristina "
 &lt;farmramirez\a/yahoo.com.ar&gt; <br> <b><span
 style="font-weight: bold;">Enviado:</span></b>
 sábado, 31 de marzo de 2012 9:24<br> <b><span
 style="font-weight: bold;">Asunto:</span></b> CCL: MOs
 in top_grid<br> </font> </div> <br><br>Sent to CCL
 by: "K.Radacki" [K.Radacki ~~ uni-wuerzburg.de]<br>On 3/30/2012
 3:08 PM, Cristina Ramirez farmramireza/yahoo.com.ar wrote:<br>&gt;
 Sent to CCL by: "Cristina&nbsp; Ramirez"
 [farmramirez-#-yahoo.com.ar]<br>&gt; Good morning. I'm using Topmod to
 calculate the ELF, and at the "top_grid" step I get this message:
 "number of molecular orbitals too large. set maxorb to 389 and
 recompile".<br>&gt; 389 is my system's number of
 MOs.<br>&gt; Can anyone tell me where should I change this maxorb
 comand? It's not on the makefile or
  the runtest file. <br>&gt; Thank you very much for any
 help.<br><br>in param.inc file change the line
 below<br>parameter (maxorb=600, maxatoms=200,
 maxcell=64481201)<br><br><br>chhers,
 kris<br>&gt;<br>&gt; Cristina<br>&gt;
 farmramirez(~)yahoo.com.ar<br>&gt;<br><br><br><br>-=
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