VESTA 3.3.2 has been released

[Koichi Momma]

Dear VESTA users,

VESTA 3.3.2 is now available from
http://jp-minerals.org/vesta/

With this release, I addressed the most frequently asked problem, i.e., simulation of powder diffraction pattern. RIETAN-FP, the default program used in background for simulation of powder diffraction pattern, does not support input files older than the installed version of RIETAN-FP. Then every time the file format of RIETAN-FP changed, people encountered a problem caused by version mismatch of template input file (*.ins) and installed RIETAN-FP. While RIETAN-FP is still the default option, there is now a new built-in dialog box for simple simulation. If you are not a user of RIETAN-FP, you don't need to install RIETAN-FP anymore.

The users manual is not updated yet but the new dialog box should be self-explanatory.

Here is a list of all changes in ver. 3.3.2
==================================
* Added a built-in dialog box for simulation of X-ray powder diffraction pattern. It will be used when RIETAN-FP is not installed in the PC or the path of RIETAN-FP is erased in the "Preferences" dialog box. The built-in simulation feature is still very primitive and you cannot edit conditions yet, except for wave length of X-ray source.

* Added a feature to check symmetry constraints on Uij and magnetic moments of special positions, and output warnings in the text area when they do not fulfill the symmetry constraints.

* Fixed a bug in the "Edit Data" dialog box that wrong constraints on unit cell parameters are applied when the dialog box is opened in the case of data with space group settings other than the first setting. This bug existed since v3.3.0 but did not affect you when creating a new structure, or reading a file and never editing data in the "Edit Data" dialog box.

* Fixed a bug that VESTA failed to search additional lattice points in a particular case when converting unit cell from the "Unit Cell Transformation" dialog box.

Sincerely,
Koichi Momma

--
Koichi Momma
National Museum of Nature and Science
4-1-1 Amakubo, Tsukuba, Ibaraki 305-0005, Japan
TEL: +81-(0)29-853-8163
FAX: +81-(0)29-853-8998
k-m...@kahaku.go.jp
vest...@gmail.com