Computational tools and links
Quantum transport code: Gollum
Link to download Gollum
GOLLUM1:
GOLLUM2:
By downloading the code you agree with Gollum licence terms and conditions available hereLink opens in a new window.
To stay updated with the recent GOLLUM development, register in the GOLLUM mailing list from .
DFT codes
The following list is a short list of papular density-functional theory based electronic structure codes, a full list can be found here:
Periodic codes
- Local orbital basis codes
- numerical atom-centered basis pseudopotential code
- (commercial license) full potential, all-electron, numerical orbitals
- Plane wave and related (real space, wavelet, etc.) methods
- GPL
- GPL (mixed basis DFT)
- GPL - real-space multigrid PAW code
Molecular codes
Other software
Molecule editor and visualizer
ChemDraw Pro with Warwick licence: go to /services/its/servicessupport/software/list/ and search for ChemDraw
Marvin:
Jmol:
Avogadro:
Xcrysden: (To install in Windows, you can use )
Connecting to HEC
From windows using WinSCP:
From Linux: use ssh from terminal to connect to HEC. Use sshfs to mount storage in your Linux distribution
Programming
Matlab with Warwick academic licence: /services/its/servicessupport/software/list/matlab/accessmatlabLink opens in a new window
A short tutorial for programming with Matlab can be found in: /fac/sci/eng/eso/taught_msc_students/matlab/Link opens in a new window
Python:
Linux
Tutorial to basic Linux commands:
Ubuntu:
virtualbox for running Ubuntu in Windows:
Reference tools
Mendeley:
Document editing
MS Office: go to /services/its/servicessupport/software/list/ Link opens in a new windowand search for MS Office
Latex:
Overleaf, online LaTeX editor: http://www.overleaf.comLink opens in a new window