Skip site navigation (1)Skip section navigation (2)

FreeBSD Manual Pages

  
 
  

home | help
OCT-VIBRATIONAL_SPECTRUM(1)  octopus documentation OCT-VIBRATIONAL_SPECTRUM(1)

NAME
       oct-vibrational_spectrum	- Calculates the vibrational spectrum from a
       molecular-dynamics run.

SYNOPSIS
       oct-vibrational_spectrum

       [oct-vibrational_spectrum does not read the standard input: all
       standard	input will be simply ignored. An input file named inp must be
       present in the running directory.  Also,	oct-vibrational_spectrum
       accepts no command-line arguments, since	there is not a standard	way to
       do this with Fortran 90.]

DESCRIPTION
       This program is one of the octopus utilities.

       It computes a vibrational spectrum from a molecular-dynamics run,
       either by analyzing just	the atomic motions, or also by considering the
       dipole moment to	get an infrared	spectrum.

       The man pages of	octopus	and of the auxiliary octopus sub-programs
       (oct-something) are not intended	to contain the documentation of	the
       programs, but only their	basic description. For where to	find more
       documentation, see the "SEE ALSO" section below.

AUTHOR
       Written by M. A.	L. Marques, A. Castro, A. Rubio, C. A. Rozzi, F.
       Lorenzen, H. Appel and X. Andrade.

REPORTING BUGS
       Report bugs through the <octopus-users@tddft.org> mailing list.

COPYRIGHT
       Copyright (C) 2006 M. A.	L. Marques, A. Castro, A. Rubio, C. A. Rozzi,
       F. Lorenzen, H. Appel and X. Andrade.

       This is free software; see the source for copying conditions.  There is
       NO warranty; not	even for MERCHANTABILITY or FITNESS FOR	A PARTICULAR
       PURPOSE.

SEE ALSO
       The largest source of documentation is the octopus website:
       http://octopus-code.org.

       At the usual standard locations,	you will also find an info file,
       octopus.info.

perl v5.32.1			  2020-06-20	   OCT-VIBRATIONAL_SPECTRUM(1)

NAME | SYNOPSIS | DESCRIPTION | AUTHOR | REPORTING BUGS | COPYRIGHT | SEE ALSO

Want to link to this manual page? Use this URL:
<https://www.freebsd.org/cgi/man.cgi?query=oct-vibrational_spectrum&sektion=1&manpath=FreeBSD+13.0-RELEASE+and+Ports>

home | help