DMol 2.1

From: rbw -x- at -x- msc.edu (Richard Walsh)
Subject: DMol 2.1
Date: Fri, 6 Sep 91 14:07:38 -0500

 Friends,
 For those of you that have started to use this new release have you:
 1. Noticed that the BOHR modifier to the GEOMETRY keyword seems
    not to work (that is, angstroms are always assumed to be offered
    in the input file and conversion to bohrs always takes place giving
    extra-long bond lengths [and optimizations runs] when you actually
    provided bohrs).
 2. Found that frequency calculations only print out the Hessian.
    You seem to have to then calculate the frequencies yourself.
 If these features are not part of your 2.1 please let me know.
 Gratefully,
 Richard Walsh
 MSC