Q: Converting the internal coordinates to the normal coordinates
- From: <JWANG
: at : ac.dal.ca>
- Subject: Q: Converting the internal coordinates to the normal
coordinates
- Date: Sat, 18 Mar 1995 22:29:25 -0400
Dear Netters,
I am looking for a code to calculate the matrix which converts the
internal coordinates to the normal mode coordinates. I can get the
force constant matrix with respect to the internal coordinates, but
I need a code to calculate the G matrix, which is necessary for the
diagonization of the FG matrix. From there I will be able to
obtain the transformation matrix.
Thanks in advance.
Jian Wang