Dear ADF-LIST readers,

I am currently working on my PhD in the computational chemistry group
LETMEX at the ENS Paris in France. I am using ADF code implemented on a
Cray T3E at the IDRIS french computer center.

My problem for the last few days has been the computation of frequencies on
a BSSE corrected potential surface. To do so, I need to compute hessian
calculations with ghosts atoms. I can do that with Gaussian, and I want to
compare my results with ADF. But I have this error:

 ===================================================
 Workspace Manager Error Exit
 ---------------------------------------------------
 archec: can't find IB2TIDS

 deloc integ IB2TIDS

 length= -1, istart=************

 ===================================================

I have no idea what to do with such an error and I'd really appreciate it
if you could help me. I look forward to your response. Thank you.

Best regards.

Olivier Couronne
Received on 1998-08-17 17:12:19