Dear VESTA users,
Firstly I hope you are all keeping safe and
well.
VESTA 3.5.6 is now available from
http://jp-minerals.org/vesta/
I am afraid I didn't write release announcements to this mailing
list since ver. 3.5.2.
So here is a list of changes since ver. 3.5.2.
==================================
- Dec. 20 2020 ver. 3.5.6
- Fixed crash when reading some of PDB, XSF, and VASP files.
- Fixed a bug that the sign of electronic potential-energy
densities v(r) was flipped.
- Fixed crash on Linux when specifying a transformation matrix
with its determinant 0.
- Changed the default value of Uiso/Biso
to 0 and the default type to Uiso.
- When exporting cif files, write '?' instead of values of Uiso/Biso
if they are not changed from their default value 0.
- Enabled to read 2nd and subsequent volumetric data in the
XSF files.
- Fixed an issue that calculation of site potentials and
Madelung energy failed on Linux since ver. 3.4.8. (Restored
the MADEL program missing since ver. 3.4.8.)
- Sep. 26 2020 ver. 3.5.5
- Fixed a regression in v3.5.3 and v3.5.4 that d-spacing of
lattice planes were not correctly shown in dialog boxes.
- Sep. 24 2020 ver. 3.5.4
- Enabled to use cyclic color scheme when coloring isosurfaces
by phases.
- Enabled to export coordination polyhedra, crystal shape, and
isosurfaces to *.stl file.
- Fixed a regression in v3.5.3 that wrong (larger) value of
multiplicity of a site was displayed due to too strict
comparison of coordinates.
- Aug. 23 2020 ver. 3.5.3
- Fixed a bug specific to Windows versions after v3.4.8 that
calculation of bond distances was wrong. To address these
compiler related bugs, revert the build setting to monolithic
executable file.
- Fixed a regression since v3.5.1 that sorted structure
factors might have wrong phases, resulted in strange output
when calculating model electron/nuclear densities.
May you all have a wonderful holiday season!
Koichi
--
Koichi Momma
National Museum of Nature and Science
4-1-1 Amakubo, Tsukuba, Ibaraki 305-0005, Japan
TEL: +81-29-853-8163
FAX: +81-29-853-8998
k-m...@kahaku.go.jp
vest...@gmail.com