From chemistry-request:~at~:server.ccl.net Mon Jul 15 12:04:37 2002 Received: from web11105.mail.yahoo.com ([216.136.131.152]) by server.ccl.net (8.11.6/8.11.0) with SMTP id g6FG4br12098 for ; Mon, 15 Jul 2002 12:04:37 -0400 Message-ID: <20020715160436.77280.qmail %-% at %-% web11105.mail.yahoo.com> Received: from [137.158.131.180] by web11105.mail.yahoo.com via HTTP; Mon, 15 Jul 2002 17:04:36 BST Date: Mon, 15 Jul 2002 17:04:36 +0100 (BST) From: =?iso-8859-1?q?Jeff=20C?= Subject: AIM Study with G98 To: chemistry $#at#$ ccl.net MIME-Version: 1.0 Content-Type: multipart/mixed; boundary="0-629597109-1026749076=:75972" Content-Transfer-Encoding: 8bit --0-629597109-1026749076=:75972 Content-Type: text/plain; charset=iso-8859-1 Content-Transfer-Encoding: 8bit Content-Disposition: inline Hi, I am currently performing some of the AIM studies with G98. Some of my calculations were terminated without giving any apparent reason. But the density Laplacian and the ellipticity were obtained. I am really not sure what the problem is. Furthermore, are the density Laplacian and the ellipticity reliable? Can anyone out there please help me out. (See the last few lines of the problematic ".log" file attached below). Thank you kindly Jeff __________________________________________________ Do You Yahoo!? Everything you'll ever need on one web page > from News and Sport to Email and Music Charts http://uk.my.yahoo.com --0-629597109-1026749076=:75972 Content-Type: application/x-unknown; name="AIM_job.log" Content-Transfer-Encoding: base64 Content-Description: AIM_job.log Content-Disposition: attachment; filename="AIM_job.log" ICoqKioqKioqKioqKioqKioqKioqKioqKioqKioqKioqKioqKioqKioqKioq KioqKioqKioqKioqKioqKioqKioqKioqKioKCiAgICAgICAgUHJvcGVydGll cyBvZiBhdG9tcyBpbiBtb2xlY3VsZXMgdXNpbmcgdGhlIE1QMiBkZW5zaXR5 LgoKICoqKioqKioqKioqKioqKioqKioqKioqKioqKioqKioqKioqKioqKioq KioqKioqKioqKioqKioqKioqKioqKioqKioqKioKCgogSS4gQVRUUkFDVE9S UwoKIC0tLS0tLS0tLS0tLS0tLS0tLS0tLS0tLS0tLS0tLS0tLS0tLS0tLS0t LS0tLS0tLS0tLS0tLS0tLS0tLS0tLS0tLS0tLS0tLS0tLS0tLS0KIEF0dHIu ICAgICBDYXJ0ZXNpYW4gQ29vcmRpbmF0ZXMgICAgICAgICAgTnVjbGV1cyAg ICAgICAgICAgICAgIERlbnNpdHkKICAgICAgICAgIFggICAgICAgICAgWSAg ICAgICAgICBaICAgICAgIChEaXN0YW5jZSkgICAgICAgIFRvdGFsICAgICAg ICAgU3BpbgogLS0tLS0tLS0tLS0tLS0tLS0tLS0tLS0tLS0tLS0tLS0tLS0t 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