[CPMD-list] CPMD: New Version 3.7 available for downloading

[Alessandro Curioni]

Version 3.7 is now finally ready for distribution.  It is a major upgrade
from version 3.5.

The main  improvements and changes are:

-Time Dependent DFT implementation for the calculation of excited
states;  Molecular Dynamics in the excited States.
-Linear Response implementation for the calculation of IR  and Raman
Vibrational Spectra.
-Linear Response Implementation for the calculation of NMR properties.
-Linear Scaling optimizers for the geometry optimization and transition
state search.
-Direct Minimization of the Energy with k points
-OpenMP parallelization
-General Fixes
-New Manual
-Test Suite


If you have a license for cpmd 3.5, you can use the same userid/password to
download the new version.
Otherwise, request a new licence on-line.

CPMD is copyrighted by IBM Corp and MPI  Stuttgart