Please forward my mail to the mailing list
Sahasranaman Mahalakshmi
lakshmi at mail.chem.tamu.edu
Mon Sep 3 20:42:16 BST 2001
Dear Molpro-users,
I am facing a problem with geometry optimizaton using
molpro for bn2+. It abruptly gets interrupted and no
errors either written in output or log file. We are using
molpro 2000.1. I have enclosed three files : my input file
bn2+.pvdz.optgeom, the output files BN2+.pvdz.log,
BN2+.pvdz.out. Please help me solve this problem. Thanks
to you all.
Thanking You,
Mahalakshmi
More information about the Molpro-user
mailing list