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SIRIUS is the part of the code that computes the wave function.
The following sections contain a list of all generally relevant keywords to
SIRIUS, only currently inactive keywords and some special debug
options are omitted.
- The input for the wave function section must begin with
**WAVE FUNCTIONS
with no leading blanks. The preceeding lines in the input file may
contain arbitrary information.
- Input is directed by keywords written in upper case.
Only the first 7 characters including the prompt are significant.
The keywords are divided in a number of main input groups. Each main
input group is initiated by a "*", for example
*ORBITAL INPUT
marks the beginning of the input group for orbital input.
- The keywords belonging to one of the main input groups begin with
the prompt ".".
- Keywords that are necessary to specify are marked by "Required".
For other keywords the default values can be used in ordinary runs.
- Any keyword line beginnning with a "!" or
"#" will be treated as a
comment line. An illegal keyword will cause a dump of all keywords
for the current input section.
- A dump of keywords can be obtained in any input section with the
keyword ".OPTIONS
". For example, the input
**SIRIUS
.OPTIONS
**END OF INPUT
will cause a dump of the labels for the main input groups in SIRIUS,
while
**SIRIUS
*ORBITAL INPUT
.OPTIONS
**END OF INPUT
will cause a dump of the labels for the "*ORBITAL INPUT" input group
in SIRIUS.
- The SIRIUS input is finished with a line beginning with two stars,
e.g.
**END OF INPUT
Kenneth Ruud
Sat Apr 5 10:26:29 MET DST 1997