WORKSHOP WFS |
Schedule
Wavefunction methods for solid state matter
Schedule
- Day 1 (Monday – 23.03)
- Day 2 (Tuesday – 24.03)
- Day 3 (Wednesday – 25.03)
- Day 4 (Thursday – 26.03)
- Day 5 (Friday – 27.03)
Notes
- During the workshop we will use some computational software, which does not require any installation. However, some graphical tools works much better if you have them
on your laptop. During the first evening it will be possible to get some help from the teachers with installation, but we recommend you to install by yourself the necessary software prior the workshop.- VESTA
You need this code for visualization during the second day of the workshop.
Follow the download instructions
https://jp-minerals.org/vesta/en/download.html
To verify the installation – download
https://jp-minerals.org/vesta/archives/VESTA-Examples.zip
Find any file with extension .cif and open it with vesta. - LUSCUS/GV
You need this code for visualization during the third day of the workshop.
LUSCUS is a more user friendly version of GV, but it requires more libraries for
the installation. You need to install only one of these codes.
To get the code, download it from:
https://www.molcas.org/GV/
https://sourceforge.net/projects/luscus/Note for MacOS users: unless you use ‘port’ package manager, don’t try
to install LUSCUS, it is not compatible with Homebrew.To verify GV/LUSCUS installation – download
www.molcas.org/GV/TEST/2water.lus
and open it with gv or luscus.If all means to install GV/LUSCUS – fail, please, try to install any code
for visualization of Gaussian Cube files.
- VESTA