<html xmlns:v="urn:schemas-microsoft-com:vml" xmlns:o="urn:schemas-microsoft-com:office:office" xmlns:w="urn:schemas-microsoft-com:office:word" xmlns:m="http://schemas.microsoft.com/office/2004/12/omml" xmlns="http://www.w3.org/TR/REC-html40">
<head>
<meta http-equiv="Content-Type" content="text/html; charset=us-ascii">
<meta name="Generator" content="Microsoft Word 15 (filtered medium)">
<style><!--
/* Font Definitions */
@font-face
{font-family:"Cambria Math";
panose-1:2 4 5 3 5 4 6 3 2 4;}
@font-face
{font-family:Calibri;
panose-1:2 15 5 2 2 2 4 3 2 4;}
/* Style Definitions */
p.MsoNormal, li.MsoNormal, div.MsoNormal
{margin:0cm;
margin-bottom:.0001pt;
font-size:11.0pt;
font-family:"Calibri",sans-serif;
mso-fareast-language:EN-US;}
a:link, span.MsoHyperlink
{mso-style-priority:99;
color:#0563C1;
text-decoration:underline;}
a:visited, span.MsoHyperlinkFollowed
{mso-style-priority:99;
color:#954F72;
text-decoration:underline;}
span.EmailStyle17
{mso-style-type:personal-compose;
font-family:"Calibri",sans-serif;
color:windowtext;}
.MsoChpDefault
{mso-style-type:export-only;
font-family:"Calibri",sans-serif;
mso-fareast-language:EN-US;}
@page WordSection1
{size:612.0pt 792.0pt;
margin:70.85pt 70.85pt 70.85pt 70.85pt;}
div.WordSection1
{page:WordSection1;}
--></style><!--[if gte mso 9]><xml>
<o:shapedefaults v:ext="edit" spidmax="1026" />
</xml><![endif]--><!--[if gte mso 9]><xml>
<o:shapelayout v:ext="edit">
<o:idmap v:ext="edit" data="1" />
</o:shapelayout></xml><![endif]-->
</head>
<body lang="FR" link="#0563C1" vlink="#954F72">
<div class="WordSection1">
<p class="MsoNormal"><span lang="EN-US">Dear users and devlopers,<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US"><o:p> </o:p></span></p>
<p class="MsoNormal"><span lang="EN-US">I am trying to determine cohesive Energy of Urea.
<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US">I created inputs for a bulk (according to cif file) and isolated molecule.
<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US">Unfortunately, it is hard to make it converge… I tried to optimize as much as possible every factor adapted to my problem, but I’m really stuck<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US">Can you have a look on my inputs and tell me what’s wrong please ?<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US"><o:p> </o:p></span></p>
<p class="MsoNormal"><span lang="EN-US">Best regards,<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US">Thank you in advance for your answers<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US">Alban<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US"><o:p> </o:p></span></p>
</div>
<P class=MsoNormal style="MARGIN: 0cm 0cm 0pt"><SPAN lang=EN-US
style='FONT-SIZE: 10pt; FONT-FAMILY: "Verdana","sans-serif"; mso-ansi-language: EN-US'><FONT
face=Arial><FONT size=1>STATEMENT OF
CONFIDENTIALITY.<o:p></o:p></FONT></FONT></SPAN></P>
<P class=MsoNormal style="MARGIN: 0cm 0cm 0pt"><SPAN lang=EN-US
style='FONT-SIZE: 10pt; FONT-FAMILY: "Verdana","sans-serif"; mso-ansi-language: EN-US'><o:p><FONT
size=1 face=Arial> </FONT></o:p></SPAN></P>
<P class=MsoNormal style="MARGIN: 0cm 0cm 0pt"><SPAN lang=EN-US
style='FONT-SIZE: 10pt; FONT-FAMILY: "Verdana","sans-serif"; mso-ansi-language: EN-US'><FONT
face=Arial><FONT size=1>This email and any attachments may contain confidential,
proprietary, privileged and/or private information.
<o:p></o:p></FONT></FONT></SPAN></P>
<P class=MsoNormal style="MARGIN: 0cm 0cm 0pt"><SPAN lang=EN-US
style='FONT-SIZE: 10pt; FONT-FAMILY: "Verdana","sans-serif"; mso-ansi-language: EN-US'><FONT
face=Arial><FONT size=1>If received in error, please notify us immediately by
reply email and then delete this email and any attachments from your system.
Thank you!<o:p></o:p></FONT></FONT></SPAN></P>
<P class=MsoNormal style="MARGIN: 0cm 0cm 0pt"><SPAN lang=EN-US
style='FONT-SIZE: 10pt; FONT-FAMILY: "Verdana","sans-serif"; mso-ansi-language: EN-US'><o:p><FONT
size=1 face=Arial> </FONT></o:p></SPAN></P>
<P class=MsoNormal style="MARGIN: 0cm 0cm 0pt"><SPAN lang=EN-US
style='FONT-SIZE: 10pt; FONT-FAMILY: "Verdana","sans-serif"; mso-ansi-language: EN-US'><o:p></o:p></SPAN> </P>
<FONT size=1 face=Arial>Veuillez trouver notre information relative
à la protection des données <A
href="https://www.evotec.com/en/about/site-information/data-protection-fr">ici</A></FONT>
</body>
</html>