Updates¶
v1.1.0 [14/07/2018] : Add a new function to calculate the bulk modulus properties for 3D system.
v1.1.1 [20/12/2018] : Add a new function to check stability conditions for 3D system.
v1.2.0 [05/04/2019] : Add dat2gnu_lapw to plot by gnuplut.
v1.3.0 [12/05/2020] : Add a new function to calculate elsetic properties, and check stability conditions for 2D system.
v1.4.0 [10/06/2020] : Added a database includes more than 13,000 elastic tensors and a function for reading it.
v1.5.0 [01/07/2020] : Add a new function to calculate the phase and group velocities of the acoustic waves.
v1.5.1 [20/07/2020] : Add a new function to calculate the shear modulus for 2D system.
v1.5.2 [04/04/2021] : Chenge logo. Fixed a bug about dat2wrl, dat2gnu, dat2agr
v1.5.3 [12/04/2021] : Add a new function to support of IRelast2D code.
v1.6.0 [20/04/2021] : Add new elsetic properties for 3D materials. Lame’s first and second parameters, Kleinman parameter, Hardness information.
v1.6.1 [04/05/2021] : Add heat map colors (bbry, grv, bbvy, bgyr, bryw) in dat2gnu.x.
$ dat2gnu.x [ Properties ] [hmap colors]
v1.6.2 [05/05/2021]: Module wrl_setcolor.f90 added to dat2wrl.x. From now on you can customize the color scheme of case.wrl files.
$ dat2wrl.x [proprities] 0 or dat2wrl.x [proprities] : Default color
$ dat2wrl.x [proprities] 1 : Coloring options
v1.6.3 [31/05/2021]: Fixed a number of bugs
v1.6.4 [01/06/2021]: Add a function to calculate the hardness.
3D and 2D representations of hardness can be plot by dat2gnu.x and dat2wrl.x.
$ dat2gnu hard: 2D cut of hardness
$ dat2gnu hmhard: 2D Heat map of hardness
$ dat2wrl hard: 3D representations of hardness
v1.6.5 [08/06/2021]: Add advanced option for 2D materials. To enter this option, after selecting the two-dimensional system, select the option related to the elastic tensor Cij-2D.dat.
This option should be used for rectangular, quadratic, and oblique 2D materials. This option has not been tested. Be careful when using.
v1.6.6 [05/07/2021]: Add Cauchy pressure for Cubic, Hexagonal, Trigonal, Tetragonal, and Orthorhombic symmetries.
v1.6.7 [09/07/2021]: Add “Back” option in GUI. Fix bug in “Advanced option” of 2D materials.
v1.6.8 [15/07/2021]: Add an online database option with more than 13000 elastic constants (Cij) for 3D materials.
v1.6.9 [22/07/2021]: Bug fixes, and optimization of f90 files for gfortran compiler. Please install the following libraries for this compiler:
sudo apt-get install liblapack-dev, sudo apt-get install libblas-dev
v1.7.0 [07/09/2021]: Version 1.7.0 is a major update, with several new features and many bugfixes.
Add dat2html.x program.
Add Min. thermal conductivity property.
Bugfix in 2D materials properties.
Add theta-mash points for more accurate calculations.
Improved terminal-based GUI.
Add polar heat-maps for 2D materials
Add color customization options in dat2gnu.x and `dat2html.x` programs.
Add new options for dat2agr.x program.
A function was added to separate similar files(DatFile_hkl and PicFile_hkl).