<html>
<head>
<meta http-equiv="Content-Type" content="text/html; charset=iso-8859-1">
<style type="text/css" style="display:none;"><!-- P {margin-top:0;margin-bottom:0;} --></style>
</head>
<body dir="ltr">
<div id="divtagdefaultwrapper" style="font-size:12pt;color:#000000;font-family:Calibri,Helvetica,sans-serif;" dir="ltr">
<p style="margin-top:0;margin-bottom:0"><span style="font-family: Tahoma; font-size: 13.3333px;">Hello all, </span></p>
<div style="font-family: Tahoma; font-size: 13.3333px;"><br>
</div>
<div style="font-family: Tahoma; font-size: 13.3333px;"><font face="Segoe UI,Helvetica,Arial,sans-serif">I am finding difficulty in using neb.x with Environ1.0 and QE 6.2.1. The following error arises near the beginning of the simulation (before it reaches
scf):</font></div>
<div style="font-family: Tahoma; font-size: 13.3333px;"><font face="Segoe UI,Helvetica,Arial,sans-serif"><br>
</font></div>
<div style="font-family: Tahoma; font-size: 13.3333px;">
<div><font face="Segoe UI,Helvetica,Arial,sans-serif">%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</font></div>
<div><font face="Segoe UI,Helvetica,Arial,sans-serif"> task # 7</font></div>
<div><font face="Segoe UI,Helvetica,Arial,sans-serif"> from destroy_environ_functions : error # 1</font></div>
<div><font face="Segoe UI,Helvetica,Arial,sans-serif"> Trying to destroy a non allocated object</font></div>
<div><font face="Segoe UI,Helvetica,Arial,sans-serif"> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</font></div>
<div><br>
</div>
<div><font face="Segoe UI,Helvetica,Arial,sans-serif">Any idea as to how to resolve this issue? I am using the Soft-sphere Continuum Solvation approach.</font></div>
<div><font face="Segoe UI,Helvetica,Arial,sans-serif"><br>
</font></div>
<div><font face="Segoe UI,Helvetica,Arial,sans-serif">Thanks,</font></div>
<div><font face="Segoe UI,Helvetica,Arial,sans-serif">Lance Kavalsky</font></div>
<div><font face="Segoe UI,Helvetica,Arial,sans-serif"><font size="2"><span style="font-size: 10pt;">University of Toronto</span></font></font></div>
</div>
<br>
<p></p>
</div>
</body>
</html>