Download in PDF format

1.2. FEATURES OF TURBOMOLE
1.2
13
Features of Turbomole
TURBOMOLE has been specially designed for UNIX workstations and PCs and efficiently
exploits the capabilities of this type of hardware. TURBOMOLE consists of a series of
modules; their use is facilitated by various tools.
Outstanding features of TURBOMOLE are
• semi-direct algorithms with adjustable main memory and disk space requirements
• full use of all point groups
• efficient integral evaluation
• stable and accurate grids for numerical integration
• low memory and disk space requirements
1.3
How to Quote Usage of Turbomole
Please quote the usage of the program package under consideration of the version
number:
TURBOMOLE V6.6 2014, a development of University of Karlsruhe and
Forschungszentrum Karlsruhe GmbH, 1989-2007,
TURBOMOLE GmbH, since 2007; available from
http://www.turbomole.com.
A LaTeX template could look like this:
@misc{TURBOMOLE,
title = {{TURBOMOLE V6.6 2014}, a development of {University of Karlsruhe} and
{Forschungszentrum Karlsruhe GmbH}, 1989-2007,
{TURBOMOLE GmbH}, since 2007; available from \\
{\tt http://www.turbomole.com}.}}
Scientific publications require proper citation of methods and procedures employed.
The output headers of TURBOMOLE modules include the relevant papers. One may also
use the following connections between: method [module] number in the subsequent
list (For module ricc2 see also Section 10).