Summary

Sourcehttp://www.demon-software.com/

Path:  /software/deMon2k

Documentationhttp://www.demon-software.com/public_html/support/htmlug/index.html

License: Please have a look at http://www.demon-software.com/public_html/download.html

Installation: this is just the binary version of deMon2k. See http://www.demon-software.com/public_html/download.html for restrictions.

Citation: Any publication reporting the results of calculations performed with deMon2k must include the following citation: A.M. Koster, G. Geudtner, A. Alvarez-Ibarra, P. Calaminici, M.E. Casida, J. Carmona-Espindola, V.D. Dominguez, R. Flores-Moreno, G.U. Gamboa,A. Goursot, T. Heine, A. Ipatov, A. de la Lande, F. Janetzko, J.M. del Campo, D. Mejia-Rodriguez, J. U. Reveles, J. Vasquez-Perez, A. Vela, B.Zuniga-Gutierrez, and D.R. Salahub, deMon2k, Version 5, The deMon developers, Cinvestav, Mexico City (2018). All specific program functionality, exchange-correlation functionals, basis sets and auxiliary function sets must also be cited appropriately.

deMon (density of Montréal) is a software package for density functional theory (DFT) calculations. It uses the linear combination of Gaussian-type orbital (LCGTO) approach for the self-consistent solution of the Kohn-Sham (KS) DFT equations. The calculation of the four-center electron repulsion integrals is avoided by introducing an auxiliary function basis for the variational fitting of the Coulomb potential  

Using  demon2k

 To initialize the environment use the module command:

[max]% xwhich demon2k

 Provides by module(s)
   ... module load maxwell demon2k; which demon2k: /software/deMon2k/demon2k

 URL:           http://www.demon-software.com
 Manual:        http://www.demon-software.com/public_html/support/htmlug/index.html
 License:       restricted

[max]% module load maxwell demon2k 
   To launch the program:   demon2k 
   Note: you need to agree to license terms once 
   Database Files are located in /software/deMon2k/Databasefiles