[CPMD-list] Thermodynamic Analysis

[Jan-Willem Handgraaf]

Dear all,

Is there someone who has written a program to obtain zero-point energies and 
free energy corrections from a vibrational-analysis run with cpmd. If so, is 
it possible to obtain the source code of this program?

Best regards,

Jan-Willem Handgraaf


-- 
Jan-Willem Handgraaf
Department of Chemical Engineering
University of Amsterdam
Nieuwe Achtergracht 166
1018 WV Amsterdam
The Netherlands

Room: C6.18
Tel: +31-20-5256492
Fax: +31-20-5255604
Email: jwh at science.uva.nl