p4vasp 0.3.27 released

P4vasp 0.3.27 has now the possibility to show the Brillouin zone and the k-points graphically.

Open Electronic/ View k-points and use the mouse to rotate and zoom. Please note, that k-points are only available in the vasprun.xml

IMPORTANT: Applet requires PyOpenGL, if it is not installed, the applet will not appear in the menu and you will see an error in the p4vasp.log.

In ubuntu PyOpenGL can be installed by the following command:

sudo apt-get install python-opengl

p4vasp 0.3.26 released

P4vasp 0.3.26 adds a new possibility to export 3D graphics to povray. This allows to render high quality pictures and animations in an easy way.

• Use structure viewer and control to configure what you would like to export.
• All configuration options (camera position, background, arrows and spheres size) are reflected in the povray output.
• The isosurfaces are supported as well !
• Rendering can be conveniently started by the generated ini file - e.g. "povray output.ini"

This development prepared as well a general framework for exporters. (Besides povray, a simple export to POSCAR format is available.) Further exporters will eventually follow. Here are some formats that are being considered: VRML, Collada, XYZ, Gaussian Cube, CIF, HTML5. It would really help me to know what exports file formats would be most useful to you ?

If you have an opinion - or if you have some ideas/wishes for future p4vasp enhancements, please do not hesitate and drop me an e-mail (dubay at danubiananotech.com).

Forum is offline

Due to problems with upgrade is the forum currently offline.

In case of problems or questions contact me at   dubay at danubiananotech.com.

I apologize for inconvenience.

Orest