mirror of
https://github.com/LCPQ/quantum_package
synced 2024-10-19 22:41:48 +02:00
52 lines
1.3 KiB
Groff
52 lines
1.3 KiB
Groff
|
.\" Man page generated from reStructuredText.
|
||
|
|
.
|
||
|
|
.TH "PRINT_WF" "1" "Jan 16, 2019" "2.0" "Quantum Package"
|
||
|
|
.SH NAME
|
||
|
|
print_wf \- | Quantum Package >
|
||
|
|
.
|
||
|
|
.nr rst2man-indent-level 0
|
||
|
|
.
|
||
|
|
.de1 rstReportMargin
|
||
|
|
\\$1 \\n[an-margin]
|
||
|
|
level \\n[rst2man-indent-level]
|
||
|
|
level margin: \\n[rst2man-indent\\n[rst2man-indent-level]]
|
||
|
|
-
|
||
|
|
\\n[rst2man-indent0]
|
||
|
|
\\n[rst2man-indent1]
|
||
|
|
\\n[rst2man-indent2]
|
||
|
|
..
|
||
|
|
.de1 INDENT
|
||
|
|
.\" .rstReportMargin pre:
|
||
|
|
. RS \\$1
|
||
|
|
. nr rst2man-indent\\n[rst2man-indent-level] \\n[an-margin]
|
||
|
|
. nr rst2man-indent-level +1
|
||
|
|
.\" .rstReportMargin post:
|
||
|
|
..
|
||
|
|
.de UNINDENT
|
||
|
|
. RE
|
||
|
|
.\" indent \\n[an-margin]
|
||
|
|
.\" old: \\n[rst2man-indent\\n[rst2man-indent-level]]
|
||
|
|
.nr rst2man-indent-level -1
|
||
|
|
.\" new: \\n[rst2man-indent\\n[rst2man-indent-level]]
|
||
|
|
.in \\n[rst2man-indent\\n[rst2man-indent-level]]u
|
||
|
|
..
|
||
|
|
.sp
|
||
|
|
Print the ground state wave function stored in the \fI\%EZFIO\fP folder in the intermediate normalization.
|
||
|
|
.INDENT 0.0
|
||
|
|
.INDENT 3.5
|
||
|
|
It also prints a lot of information regarding the excitation operators from the reference determinant
|
||
|
|
.sp
|
||
|
|
and a first\-order perturbative analysis of the wave function.
|
||
|
|
.sp
|
||
|
|
If the wave function strongly deviates from the first\-order analysis, something funny is going on :)
|
||
|
|
.UNINDENT
|
||
|
|
.UNINDENT
|
||
|
|
.sp
|
||
|
|
File: \fBtools/print_wf.irp.f\fP
|
||
|
|
.SH AUTHOR
|
||
|
|
A. Scemama, E. Giner
|
||
|
|
.SH COPYRIGHT
|
||
|
|
2018, A. Scemama, E. Giner
|
||
|
|
.\" Generated by docutils manpage writer.
|
||
|
|
.
|