Difference between revisions of "Software:adf"
From CAC Wiki
(→ADF) |
(→ADF) |
||
| Line 15: | Line 15: | ||
* '''Related link''': For more information go to SCM web site: http://www.scm.com/ | * '''Related link''': For more information go to SCM web site: http://www.scm.com/ | ||
* '''Statement''': [http://www.hpcvl.org/sites/default/files/ADF_statement.pdf Necessary to access the software] | * '''Statement''': [http://www.hpcvl.org/sites/default/files/ADF_statement.pdf Necessary to access the software] | ||
| − | * '''Help File''': [[Help:adf|ADF Help File]] | + | * '''Help File''': [[Software:Help:adf|ADF Help File]] |
|} | |} | ||
* '''Related Software''': | * '''Related Software''': | ||
Revision as of 15:34, 26 May 2016
ADF
|
ADF (Amsterdam Density Functional) is a complete computational chemistry suite with a fully integrated GUI for easy set-up and analysis. At HPCVL, the following packages are available:
ADF is an accurate, parallelized, powerful computational chemistry program to understand and predict chemical structure and reactivity with density functional theory (DFT). Heavy elements and transition metals are accurately modeled with ADF's reliable relativistic ZORA approach and all-electron basis sets for the whole periodic table (H-Uuo). A vast range of spectroscopic properties and comprehensive analysis tools yield invaluable insight in chemical structure and reactivity. DFT calculations are easily prepared and analyzed with our GUI.
|
