XCrySDen --
(X-Window) CRYstalline Structures and DENsities

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XCrySDen's Version and Bug History

May 31, 2005:    version 1.4 released

This is a major release (released under GNU General public license).

New Features

  • multi-band display of Fermi surfaces in one widget (read more)
  • visualization of vector-fields with arrows (read more)
  • added support for PWscf v2.1 and later (read more)
  • added support for CRYSTAL03
  • more configurable options for the display of force arrows (color, thickness, aspect) (read more)
  • the color of the "Coordinate system" is configurable (read more)
  • automatic labeling of k-points for k-path selection (thanks to Peter Blaha) (read more)
  • Stereo display mode (thanks to Gerardo Ballabio)
  • Anaglyph display mode, i.e. fake stereo, requires red-blue glasses (thanks to Eric Verfaillie)
  • improved EPS printing (also PDF printing) thanks to new gl2ps-1.2.4. The vectorial EPS printing of Lighting-On display mode is finally good enough.
  • comments added to the XSF format; comment-lines start with the "#" (read more)
  • dummy "X" (atomic number 0) atoms do not have bonds anymore
  • updated Documentation
Bug fixes
  • a few Bug fixes in visualization of Fermi surfaces (thanks to Pablo de la Mora)
  • in some cases the coordinates from the PWscf input file were wrongly extracted
  • bug fix in the variable-cell XSF parser
  • printing the Fermi surfaces in vectorial EPS did not work
  • and more ...

Mar 01, 2004:    version Beta-1.0 released

This is a major release (released under GNU General public license).

New Features

  • Visualization of H-bonds.
  • Update of the PWscf IO filters (compatible with PWscf v.2.0)
  • Simple bond editing: the covalent-radius item ( Modify-->Atomic Radius menu ) has been split into covalent- and display-radius items. By changing the covalent radii of given atomic types the display of bonds can be altered.
  • Improved Save Current State and Structure mechanism.
  • XCrySDen can be embedded in an another aplication's window by using --use option, i.e., xcrysden --use window-id.
  • Reduce -r option added: it reduces the dimensionality of the structure (works for XSF file only): xcrysden -r 2 --xsf file.xsf will display the structure from file.xsf as slab (dim=2) even if it was specified as crystal (dim=3) in file.xsf
  • Visualization of Fermi surfaces a bit improved
Bug fixes

Several bugs were fixes and, unfortunately, I don't have a record of all of them. Here are some of them:

  • visualization of zero force fixed
  • fixing "zooming" bug: sometimes the structure has disappeared when zoomed too much
  • fixing bug for transformation of selected k-points to WIEN2k format (fixed by Florent Boucher). BEWARE: it seems that transformation to format suitable for WIEN2k remains buggy. Use at your own risk, and please, check carefully every time the resultant klist file: XCrySDen prints some useful supporting information during the transformation to WIEN2k format.

May 19, 2003:    version 0.9.3 released

This is a minor release, mainly bug fixes.

Bug fixes:
Bug Description Reported by Status
Problems in AXSF parser. Carlo Sbraccia Fixed
Custom round* functions caused compilation problems. Moritz Hoesch Fixed
Memory overflow in routine fsReadBand due to a small-typo. tone, Neme Nnolim Fixed
The "specular light" didn't work in 3D-box selection mode. tone Fixed
Problem in loading atomic-symbols from XSF definition in *.xcrysden files. Kunihiro Mitsutake Fixed
The "state mechanism" for "Save Current State and Structure" File-menu item was missing. tone Fixed
Small bug in xcConfigure_definitions.sh tone Fixed

April 19, 2003:    version 0.9.1 released

This is a minor release (bug fix)

Bug fixes:
Bug Description Reported by Status
Problem with viewing crystal structures from w2web GUI. Mahmoud Payami Fixed

April 18, 2003:    version 0.9.0 released
  • The version 0.9 represents a significant improvement over the old 0.3 version. Many new features have been added, and large numbers of BUGS have been resolved. Read more ...
  • The establishment of XCrySDen's Version and Bug History page.

Jan 31, 2003:    version 0.7 released
2000 - 2002:    versions from 0.3 to 0.6 released
1999:    versions 0.1 and 0.2 released
  • The first version of XCrySDen (i.e. version <0.3) has been made available.

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This document was last modified on Tue 29 Oct 2019 12:29:44 PM CET