CCL:G: Link 508 error
- From: Igors Mihailovs <igorsm(_)cfi.lu.lv>
- Subject: CCL:G: Link 508 error
- Date: Tue, 6 Aug 2019 20:17:17 +0300
Dear Benoit,
This message usually indicates that the steepest descent/scaled
steepest
descent method for SCF in Gaussian failed. To overcome this, You should
not use YQC. Also, You can try adding IOp(5/6=2123) (which should try
to
avoid SD/SSD, but I am not sure anymore what the first "2"
meant and why
it appeared in my noets). Another possible solution is to rise the
SCF=(MaxNR=X) option value to suppress calling the linear search
(default is 2, You may try 1 or 0).
With best regards,
Igors Mihailovs
ISSP UL
On 8/6/19 2:14 PM, Benoit Gearald ablux13=gmail.com wrote:
Sent to CCL by: "Benoit Gearald" [ablux13#gmail.com]
Dear CCLers,
I have encountered a new error termination when I launched the gaussian.
The message is:
Convergence failure.
Error termination via Lnk1e in /usr/local/programs/g09root/g09/l508.exe at
Tue Aug 6 11:15:41 2019.
Job cpu time: 1 days 16 hours 26 minutes 9.3 seconds.
File lengths (MBytes): RWF= 116 Int= 0 D2E= 0 Chk= 8
Scr= 1
I tried to overcome the problem but in vein.
Could anyone explain and help
Regards
Benoit>
--
Yours faithfully,
Igors Mihailovs
Research assistant
Laboratory of Organic Materials
Institute of Solid State Physics
University of Latvia