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Graphical Utility Tool for OpenMX.
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README.md
omxtool

README.md

OMXTool

Graphical Utility Tool for OpenMX.

Copyright (C), 2015-2017, Naoya Yamaguchi.

This software includes the work that is distributed in version 3 of the GPL (GPLv3).

Log:

  • 2015/07/10 Ver. alpha-1 Written by Naoya Yamaguchi.
  • 2015/07/13 Ver. alpha-2 Written by Naoya Yamaguchi.
  • 2015/07/15 Ver. alpha-3 Written by Naoya Yamaguchi.
  • 2015/07/16 Ver. alpha-4 Written by Naoya Yamaguchi.
  • 2015/08/24 Ver. alpha-5 Written by Naoya Yamaguchi.
  • 2015/11/12 Ver. beta-1 Written by Naoya Yamaguchi.
  • 2016/03/17 Ver. alpha-6 Written by Naoya Yamaguchi.
  • 2016/06/11 Ver. 1.0 Released by Naoya Yamaguchi.
  • 2016/08/19 Ver. 1.1 Released by Naoya Yamaguchi.
  • 2016/09/23 Ver. 1.2 Released by Naoya Yamaguchi.
  • 2016/10/01 Ver. 1.2.1 Modified by Naoya Yamaguchi.
  • 2016/10/04 Ver. 1.2.2 Modified by Naoya Yamaguchi.
  • 2016/10/18 Ver. 1.2.3 Modified by Naoya Yamaguchi.
  • 2016/12/09 Ver. 1.2.4 Modified by Naoya Yamaguchi.
  • 2016/12/17 Ver. 1.3 Released by Naoya Yamaguchi.
  • 2016/12/18 Ver. 1.3.1 Modified by Naoya Yamaguchi.
  • 2017/01/02 Ver. 1.3.2 Modified by Naoya Yamaguchi.
  • 2017/01/15 Ver. 1.4 Released by Naoya Yamaguchi. (renaming 'openmx.tcl' 'OMXTool.tcl')
  • 2017/02/11 Ver. 1.4.1 Modified by Naoya Yamaguchi.
  • 2017/02/13 Ver. 1.4.2 Modified by Naoya Yamaguchi. (renaming 'OMXTool.tcl' 'omxtool')
  • 2017/03/04 Ver. 1.4.3 Modified by Naoya Yamaguchi.
  • 2017/03/09 Ver. 1.5 Released by Naoya Yamaguchi.
  • 2017/03/09 Ver. 1.5.1 Modified by Naoya Yamaguchi.
  • 2017/03/13 Ver. 1.5.2 Modified by Naoya Yamaguchi.
  • 2017/03/13 Ver. 1.5.3 Modified by Naoya Yamaguchi.
  • 2017/03/13 Ver. 1.5.4 Modified by Naoya Yamaguchi.
  • 2017/03/30 Ver. 1.5.5 Modified by Naoya Yamaguchi.
  • 2017/06/18 Ver. 1.5.6 Modified by Naoya Yamaguchi.
  • 2017/08/11 Ver. 1.5.7 Modified by Naoya Yamaguchi.
  • 2017/08/20 Ver. 1.5.8 Modified by Naoya Yamaguchi.
  • 2017/09/26 Ver. 1.5.9 Modified by Naoya Yamaguchi.
  • 2017/11/18 Ver. beta-2 Written by Naoya Yamaguchi.

Description:

This script provides graphical utilities for OpenMX.

OMXTool helps you do the following processes through a GUI.

Using OMXTool, you can

  • draw figures of band dispersions.
  • convert the byte order (endianness) of 'SCFOUT file'. (tclsh8.5 or later is required.)

Requirements

  • wish (Windowing Shell) and gnuplot are required.

Installation

  1. Download OMXTool-*.tar.gz or OMXTool-*.zip from here and unzip it. (Usually, *=version.)
  2. Put omxtool on your computer.

For Upgrade

  1. Overwrite omxtool.
  2. Launch it and reset the settings via menu: Option -> Reset.

Usage:

./omxtool

or:

./omxtool &

How to

start up:

  1. Try ./omxtool and launch a GUI of OMXTool as shown in the figure below.
  • We recommend to launch 'OMXTool' as a background process (i.e. ./omxtool &).

GUI of 'OMXTool'

draw figures of band dispersions:

  1. Click the Band button.
  2. Select a *.Band file and you can see a preview of the band dispersion as shown in the figures below.

File open dialog Preview window of a band dispersion

  • How to save the figures:
    1. Click the Export button and open a dialog box to save the figure.
    2. Save the figure through the dialog box.

Save dialog

set options for gnuplot:

  1. Click the Option button and open the Option window for the setting.
  2. Set gnuplot options.

Option

  • The settings are saved on clicking the Close button in the Option window.
  • Clicking the Reset button sets them the default settings.
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