BLDConograph version 1.0 is a standalone program to execute the Bravais lattice determination
by the method introduced in the following reference (download page in SourceForge.jp; Example of output files).

• R. Oishi-Tomiyasu,
  Rapid Bravais-lattice determination algorithm for lattice constants containing large observation errors, Acta Cryst. A, 68:5 (2012).

NEWS

2016/8/6

• The output format for base-centered monoclinic cells was corrected.

2014/2/16

The following bugs were fixed in the newest version. (Note that the corresponding part of the above paper is correct.)

• One of the three matrices used for face- and body-centrings was incorrect.
• In the output file, the value between <Distance> and </Distance> was replaced by its square root. (The former should be called the "norm".)
• The program did not compute the distances (and the norms) properly, when the input cell and the primitive cell of the output convensional cell are not reduced with regard to the same basis.

FAQ

• How to use the BLDConograph program
• When a good solution is not found...
• How do I report bugs?
• How do I cite BLDConograph?
• About the copyright

How to use the BLDConograph program.

1. BLDConograph requires the following two input files (examples can be found in the sample folder):
   • A *.inp.xml file that includes information about input parameters (Example)
   • A cntl.inp.xml file that includes the names of the *.inp.xml file and the output file (Example)
2. Copy one of the folders from the sample folder. Modify the contents of the two xml-files and the name of the *.inp.xml file if necessary.
   If you change the name of the *.inp.xml file, then it will be necessary to modify the contents of the cntl.inp.xml file accordingly.
3. Open a command prompt or terminal window in your operating system.
   Change the current folder to the folder that contains the modified cntl.inp.xml file.
4. Enter the absolute path to the BLDConograph.exe file on the command line and execute BLDConograph.

When a good solution is not found...

If you find a case unsolvable by BLDConograph, it is very important information for us, because it may be related to unknown bugs.
I appreciate if you kindly send us your input files to the following address.

• conograph-bugs (at) ml.post.kek.jp

How do I report bugs?

You should send us a bug report with all of the input and output files attached (including LOG_BLDCONOGRAPH.txt) to the following e-mail address:

• conograph-bug (at) lists.osdn.me

How do I cite BLDConograph?

If you use BLDConograph in your research then we strongly encourage you to include a citation of the following article in the bibliography.

• R. Oishi-Tomiyasu,
  Rapid Bravais-lattice determination algorithm for lattice constants containing large observation errors, Acta Cryst. A, 68:5 (2012).

About the copyright

The versions of the source code are distributed as open source under the MIT license on the repository list of the Conograph project.

Acknowledgments

I would like to express my gratitude to those who offered powder diffraction patterns for the Conograph project.