Recent Changes - Search:

edit SideBar



This record contains the normal coordinates (as a NRX*NRX matrix) obtained in a frequency calculation. Note that all normal coordinates (including those for translational and rotational modes) are stored and that the normal coordinates for a specific mode are given by the elements of the corresponding column of the NRX*NRX matrix.

Data type: floating point. Dimension: NRX*NRX . Written by: xjoda.

Edit - History - Print - Recent Changes - Search
Page last modified on June 10, 2011, at 03:01 AM
CFOUR is partially supported by the U.S. National Science Foundation.