Balsac web distribution

Balsac
(Build and Analyze Lattices, Surfaces, And Clusters)

Version 4.1 (January 2016)


PC-based software to construct lattice sections and clusters/molecules
with extended graphical display and analysis options.


CONTENTS OF THIS PAGE



PROGRAM DESCRIPTION

The program system Balsac (Build and Analyze Lattices, Surfaces, And Clusters, (C) Copyright K. Hermann, FHI 1991-2016) allows the construction, visualization, and interactive analysis of general crystal lattices including single crystal surfaces (Lattice sessions) and of finite clusters and molecules (Cluster sessions). Numerical information and graphics can be stored on external data files using a variety of different formats including color PostScript to obtain high quality print output using PostScript printers and typesetting devices. The theory and numerical details of this implementation can be found in references of the Balsac manuals (Unix version 2.16, MS Windows version 4.1 html or pdf). The MS Windows version 4.1 of Balsac has been completely re-developed to run as an intrinsic MS Windows application where the present version offers as new and advanced features in particular Balsac is copyright protected ((C) K. Hermann, FHI 1991-2016) and distributed as licensed software. Licence prices can be found here.
For further information please contact The present distribution refers to the Microsoft (MS) Windows version 4.1 of Balsac. Linux/Unix version 2.16 is outdated and will be distributed only upon special request.

You may view
example pictures created with Balsac or examine a batch application of Balsac.

For further information about technical details please consult the Balsac manuals (Unix version 2.16, MS Windows version 4.1).


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LICENSING AND DISTRIBUTION

The Balsac software is copyright protected and distributed according to restrictions following license schemes described below. The administrative part of the distribution is handled by Max-Planck-Innovation GmbH. To order or inquire about specific Balsac licencing please contact NOTE that, starting with version 4.01 (July 2015), licencing has been reduced in price substantially.


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HARDWARE / SOFTWARE REQUIREMENTS

The Balsac software requires the following hardware/ software Depending on the Linux/Unix system the provided Make file may have to be modified in details (compiler/library names, system selection) which requires some system administration knowledge.

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DOWNLOADING

Latest updates on October 20, 2016

Start downloading the (licensed) Balsac package in a single file (Windows: 10 MB, Linux/Unix: 2MB) by identifying yourself with a correct license ID and password.

Please enter:

Your ID

Your license password

Operating System: 

To complete downloading click the download button.

Note that the Balsac software can be downloaded only with a valid password. Multiple downloads will be monitored and may be charged separately. If incorrect address information is provided, (multiple) downloads may be disabled and you will not be contacted in case of bug fixes.

   

After downloading file Balsac4_1_Install.exe (MS Windows version) or Balsac2.tar.Z (Linux version) you may install Balsac on your PC.
For instructions see INSTALLATION on this page.

Please inspect also the latest news for recent changes and new features of the Balsac software.

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PROGRAM INSTALLATION AND RUNNING

(A) MS WINDOWS VERSION

If a previous version of Balsac is installed in your PC you have to remove all system files of the previous version with the uninstall feature of your windows system before you install the new version. Note that any old Balsac input/output files should be kept for later use.

INSTALLING Balsac requires that you have Administrator status on your PC and consists of four steps. (Note that your browser may have download switches set such that one or more of the following steps are performed automatically.)
  1. Unpack all files by running the downloaded file Balsac4_x_Install.exe. This will ask you for the name of an installation directory, e.g. c:\temp (or any other temporary directory, which must be different from the permanent directory where you wish Balsac to be installed). This directory (called $temp below) will contain all system installation files and a file Readme.1st which describes latest changes and gives further advice concerning the installation. Note that the installation directory cannot be used as the final Balsac directory, see step 2.

  2. Install all Balsac files by running Setup.exe inside the installation directory, see step 1. This will ask you for the name of the final Balsac directory where "c:\Program Files\Balsac4" is used as a default. This directory will be called $Balsac in the following.

  3. Clean up by removing all installation files from directory $temp. You may leave the original download file Balsac4_x_Install.exe for backup purposes.
You can inspect the Balsac users manual Balsac4.hlp in directory $Balsac but also while running Balsac (using the Help menu entry).

NOTE that starting with version 4.1 of Balsac the new html based help option (default for MS Windows 7 and later) is available by default but the traditional Windows help can still be used as an option. Microsoft, in its wisdom, has discontinued providing the traditional Windows help engine (WinHlp32.exe) with MS Windows 7 and later by default. The absence of WinHlp32.exe in your PC will make the old Balsac help option unavailable. However, WinHlp32.exe can be downloaded from Microsoft and installed in your Windows PC free of charge. This will enable the traditional Balsac help option if needed.

NOTE that Microsoft does not include the Visual Basic 6 runtime environment (required by Balsac) in its Windows 8, 8.1 versions by default. However, the VB6 runtime environment can be downloaded from Microsoft and installed in your Windows PC free of charge. This will enable Balsac to run also under Windows 8, 8.1.

RUNNING. Balsac can be run interactively from scratch or using input files to be combined with the corresponding executable where correct directories must be provided. A typical Balsac run can be started Typical Balsac input example files are contained in directory $Balsac\Examples.

The present MS Windows Balsac version 4.1 can deal with clusters/molecules of up to NOTE that Balsac will work successfully in your national (other than US) Windows environment ONLY if real numbers follow the US convention of using "." (period) as the decimal separator symbol and "," (comma) as the digit grouping symbol. Number symbols, like the decimal separator and digit grouping symbol, can be reset in the Regional Settings part of your Microsoft Windows Control Panel.

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(B) LINUX VERSION

The installation of Balsac version 2.16 on a Linux/Unix system requires some basic knowledge of Unix system management. Further, you must have root privileges and/or should know the local system administrator. The installation procedure starts from the archive file Balsac.tar.Z and includes six steps (plus an optional step for uninstalling an earlier Balsac version) described in great detail in the document file Readme.1st which comes with the Balsac package. For convenience we assume that the archive file Balsac.tar.Z of the original package resides in directory /user/Balsac2 (and you are logged in as super user (root).

To generate the Balsac package from the archive file you go to directory /user/Balsac2, uncompress the archive file, and unpack all Balsac files with the system commands If a previous version of Balsac is installed in your system you may want to delete all system files of the previous version from corresponding directories before you install the new version. Note that any old Balsac input/output files should be kept for later use.

INSTALLING Balsac version 2.16 on a Linux/Unix system consists of six steps which are described in file readme.1st obtained after unpacking the Balsac package.

You can inspect the Balsac users manual in directory /user/Balsac2/html starting from file balm.0.html.

RUNNING. Balsac starts from the UNIX command line by a command where all parameters in square brackets [...] are optional as explained in detail in Sec. 6.1 of the Balsac manual. If no structure input file and session option is given Balsac starts with the initial startup screen from which a Balsac/Lattice or Balsac/Cluster session can be started in interactive mode or using a structure input file. All numerical and ASCII keyboard input in interactive mode is fortran77 free format input. All numerical input/output using external files in batch or interactive mode is fortran77 fixed format-type; see Sec. 6.4 of the manual. For graphical output a graphics interface (X.11 windows and a color graphics adapter) must be installed.

In interactive mode of Balsac/Lattice, the user has to provide structural parameters and select graphics options in the order (see Sec. 6.2 of the manual)
  1. lattice type, lattice constant,
  2. Miller indices defining the lattice plane stacking,
  3. size of the lattice section and terminal plane,
  4. optional restructuring of lattice planes,
  5. viewing direction, perspectives etc. used for graphics output
  6. type of graphics, colors etc. used for graphics output.
After input 1. - 6. the Lattice main option menu shows giving shorthand information on all important parameters. Most of the structural parameters and those concerning graphics output can be viewed and modified from the main option menu. In addition, plotting of lattice sections with different graphics modes, analysis of lattice sections, and numerical output is initiated from the main option menu (and from many other menus), see Sec. 6.2 of the manual. All parameters of the lattice section can be saved on external files or in an external file stack. The resulting structure files may serve as input for subsequent runs of Balsac or for other programs. Graphics prints may be produced using color and gray scale PostScript file output sent to a PostScript laser printer.

If Balsac/Lattice is entered with a structure input file all data are read from the file (see Sec. 6.4.1/2 of the manual) and, depending on the option flags of the structure input file, Balsac moves directly to the Lattice main option menu allowing to visualize/analyze/modify the preloaded lattice section interactively or Balsac executes the sequence of options defined by the option flags.

In interactive mode of Balsac/Cluster the user has to provide structural parameters and select graphics options in the order (see Sec. 6.3 of the manual)
  1. atom coordinates, atomic radii, nuclear charges,
  2. viewing direction, perspectives etc. for graphics output
  3. type of graphics, colors etc. used for graphics output.
After input 1. - 3. the Cluster main option menu shows describing the structure. Most of the structural parameters and those concerning graphics can be viewed and modified from this main option menu. In addition, plotting of atom clusters with different graphical modes, analysis of substructures, and numerical output is initiated from the main option menu (and from many other menus). All parameters of the atom cluster can be saved on external files or in an external file stack. The resulting structure input files can serve as input for subsequent runs of Balsac or for other programs. Graphics prints may be produced using color and gray scale PostScript file output sent to a PostScript laser printer.

If Balsac/Cluster is entered with a structure input file all data are read from the file (see Sec. 6.4.1/3 of the manual) and Balsac moves directly to the Cluster main option menu allowing to visualize/analyze/modify the preloaded cluster structure interactively.

Lattice sections which have been created in a Balsac/Lattice session interactively or using a structure input file may be transferred to a Balsac/Cluster session for further processing. Further, structure transfer from Balsac/Cluster to Balsac/Lattice is possible where the atom cluster is used for an elementary cell of a (fictitious) simple cubic lattice.

Typical Balsac run examples are contained in directory /user/Balsac2/Xmpls.

Note that Latuse or Plot3D format output files of the Linux/Unix version 2.16 of Balsac are compatible in all structure definitions with and can be used as input for the MS Windows version 4.1. However, color tables will be treated differently in the two verisions and may not be transferred correctly.

The present Linux/Unix Balsac version 2.16 for can deal with clusters/molecules of up to
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HOW TO CONTACT THE AUTHOR

For any suggestions or questions concerning the Balsac software please contact the author using address

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