What type of error messages you are obtaining?<br><br><div class="gmail_quote">On Sat, Dec 1, 2012 at 3:19 PM, Sakhrawi Taoufek <span dir="ltr"><<a href="mailto:tsakhrawi@yahoo.com" target="_blank">tsakhrawi@yahoo.com</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div><div style="font-size:18pt;font-family:tahoma,new york,times,serif"><div>Dear all, <br></div><span lang="en"><span>I try to</span> <span>optimize the</span> <span>lattice parameter of</span> <span>different</span> <span>compounds</span>, i fit <span>with</span><span></span> <span>ev.x</span><span>, the problem</span> <span>is that only</span> <span>in</span> <span>the case of compound</span> <span>MgO,</span> <span>it</span> <span>gives me no</span> <span>result???!!!!!!!!</span></span><div style="font-style:normal;font-size:24px;background-color:transparent;font-family:tahoma,new york,times,serif">
############################################<br></div><div style="font-style:normal;font-size:24px;background-color:transparent;font-family:tahoma,new york,times,serif">[***@*** MgO_cc]$ ../../../bin/ev.x <br> Lattice parameter or Volume are in (au, Ang) > <br>
</div></div></div></blockquote><div>here you give au or Ang depending on your data file. <br></div><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div><div style="font-size:18pt;font-family:tahoma,new york,times,serif">
<div style="font-style:normal;font-size:24px;background-color:transparent;font-family:tahoma,new york,times,serif"> Enter type of bravais lattice (fcc, bcc, sc, hex) > bcc<br> Enter type of equation of state :<br>
1=birch1, 2=birch2, 3=keane, 4=murnaghan > 4<br> Input file > mgo.etot_vs_alat</div></div></div></blockquote><div>If you are puting write Input file, definitely it will ask for output file name also. <br></div>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div><div style="font-size:18pt;font-family:tahoma,new york,times,serif"><div style="font-style:normal;font-size:24px;background-color:transparent;font-family:tahoma,new york,times,serif">
<br></div><div style="font-style:normal;font-size:24px;background-color:transparent;font-family:tahoma,new york,times,serif"><br></div><div style="font-style:normal;font-size:24px;background-color:transparent;font-family:tahoma,new york,times,serif">
#############################################<br>There is any idea??</div><div style="font-style:normal;font-size:24px;background-color:transparent;font-family:tahoma,new york,times,serif">any suggestion will be appreciated.</div>
<div style="font-style:normal;font-size:24px;background-color:transparent;font-family:tahoma,new york,times,serif">Thanks</div><pre>--------------------------------<br><span style="color:rgb(91,91,91);font-family:garamond,new york,times,serif">Sakhraoui Taoufik</span><br style="color:rgb(91,91,91);font-family:garamond,new york,times,serif">
<span style="color:rgb(91,91,91);font-family:garamond,new york,times,serif">Ph.D student </span><br style="color:rgb(91,91,91);font-family:garamond,new york,times,serif"><span style="color:rgb(91,91,91);font-family:garamond,new york,times,serif">Faculty of Sciences of
Monastir</span><br style="color:rgb(91,91,91);font-family:garamond,new york,times,serif"><span style="color:rgb(91,91,91);font-family:garamond,new york,times,serif">Department of Physics</span><br style="color:rgb(91,91,91);font-family:garamond,new york,times,serif">
<span style="font-style:italic;color:rgb(91,91,91);font-family:garamond,new york,times,serif;font-weight:bold">L.M.C.N</span><br style="color:rgb(91,91,91);font-family:garamond,new york,times,serif"><span style="color:rgb(91,91,91);font-family:garamond,new york,times,serif">Monastir, Tunisia</span><br>
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<br></div><div style="font-style:normal;font-size:24px;background-color:transparent;font-family:tahoma,new york,times,serif"><br></div></div></div><br>_______________________________________________<br>
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