[molpro-user] VMP2 Calculation

Michael Neff neff at theochem.uni-stuttgart.de
Thu Mar 8 13:10:09 GMT 2012

Dear Mickel,

During the run of the SURF program a lot of electronic structure points 
are calculated. In my opinion the ccsd(t) calculation of one of these 
calculations crashes due to some reason. The output of all the 
electronic structure calculations performed can be found in the logfile. 
Probably there is some more information why the job crashes.




  Michael Neff
  Institut f. Theoretische Chemie
  Universitaet Stuttgart
  Pfaffenwaldring 55
  D-70569 Stuttgart               Phone :  +49/(0)711/685-69081
  Germany                         E-Mail : neff at theochem.uni-stuttgart.de


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