CCL:G: Link 508 error



 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