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Software
Here is some software I wrote, you can freely download and use it. However, I think you know the story with the "disclaimer" and agreements. I will put it in short here : these programs are not public domain, nor shareware. You can use them or distribute them, but you are not allow to sell them though. There is no guarantee whatsoever coming with these programs: they may give you wrong results, trash your hard disk, etc....whatever.
If you don't agree with this don't download and/or don't use them. You can find some excellent commercial or free software elsewhere (check the IUCr pages) .
Except for Powder 4, described in N. Dragoe, J. Appl. Cryst. 2001, 34, 535, these programs are neither supported nor developed anymore.
Powder 4 : (v1.5b on 26.02.2004) may be useful for data conversion (no limit in the number of points !!), viewing, data treatment such as smooth, background, K alpha 2 removal, automatic peak finder; interface to Dicvol, Ito and Treor for automatic indexing, unit cell refinement, HKLGEN, space group checker and related tools (Decimate/Overlap, Gsas LST reader, etc).
Powder v2.00 : XRD file conversions, refinement, indexing, graphical display, etc...
Powder 1.00 : XRD file conversions, unit cell refinement, hkl generator ...
Convert 3.02 : for data file inter-conversions (X ray diffraction)
Convert 2.0e : for Win 3.1; an old version of Convert 3.
Eldens : for Win 3.1; compute a projection of electronic density on one direction.
Buerger : for Win 3.1; compute the optimum conditions for precession experiments.
Versatile 1.0 : software for TG data treatment and non-isothermal kinetics (ask !)
Powder 4
Download the stand-alone program (unzip and try it ) or the automatic installer. Some problems may appear on Win XP systems with registering several OCX. You can do that by regsvr32.exe name.ocx, but I don’t know if this is the kosher way to do it that since I do not have an XP system nor too much knowledge about. An older version (powder3.zip) exists as well on this server.
Powder 2.00
This is a new version of the program Powder 1. It includes a graphical routine for printing, smooth, background removal, Ka2 stripping, automatic peak hunting, interfaces for indexing programs like TREOR, ITO and DICVOL, etc. In order to run the program Powder 2.0 you will need the following files:
PART A.(powder2.zip), it contains Powder2.exe, pwd2hlp.html, _PwdInternal.txt, pegraphs.hlp
PART B. (rtlibpwd2.zip), it contains oc30.dll, mfcans32.dll, msvcrt20.dll, ctl3d32.dll, msflxgrd.ocx, msvbvm5.dll pegrap32.dll, pesgo32.ocx . Put the A files in a directory of your choice, B files should be in the windows/system directory.
A sketchy help file in html format is included in the zip file powder2.zip, you can read also a tutorial maintained by Lachlan Cranswick at CCP14. (Warning: graphic intensive...)
Download the file powder2.zip, unzip it in a directory of your choice. You will also need to download the runtime library (you may already have some of these these files in your windows/system directory; look for the file MSVBVM50.DLL, it has about 1.3 Mb).
Powder 1.00
This program consists of a collection of tools for X-ray powder diffraction. This is a variant of a previously one, known as Convert v3 which was capable of various data file conversions. These functions are still available in the program Powder. The goal is to write a comprehensive package for the X-ray diffraction on powders, I have to say that this version is far from that goal. At this moment, cell refinement, computing of hkl, d and other small tools are included here.
The help file in html format is included in the zip file powder1.zip you might need vb5 runtime library- 1.3Mb (you may already have these files in your windows/system directory; look for the file MSVBVM50.DLL, it has about 1.3 Mb). Read the notice in the help file after downloading
Convert 3.02
This is the version 3 of Convert, an old and unsupported program for data file conversions.You will need: Convert301.zip and a vb5 runtime library- 1.3Mb (you may already have these files in your windows/system directory; look for the file MSVBVM50
Convert 2.0e
As Convert v.3 but for 16b operating systems. Not supported anymore. You will need convert2.zip,
Eldens
This program compute the electronic density along an axis (here considered c axis). The required data: the unit cell value, the intensity of the diffraction line, the MIller indices for each line and the phase. After some corrections for absorption, Lorentz and polarization (Cu Kalpha) it will print out an approximative value of the electronic density. It is good for fast calculations, if you want accuracy use something like GSAS. You will need Eldens.zip, grid.vbx here is the latter as grid.zip
Buerger
(the first and the last version). This program solve a very simple but tedious task: to find the optimum conditions for a precession experiment (known also as Buerger). For those who (still) work on old Buerger instruments -like I did few years ago- the software is self explaining. Don't push the help button, it won't help.... The radiation used is 1.5417 A, the film radius is 60mm. Required files: Buerger.zip
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