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User Registration

PLEASE register as a Gabedit User.
This will help to keep up the support for Gabedit.
There is no commitment involved whatsoever.

Click here to register.

Citaion

Please use the following citations in any report or publication :
Gabedit—A graphical user interface for computational chemistry softwares.
Allouche, A.-R. ,
Journal of Computational Chemistry, 32 (2011) 174–182. doi: 10.1002/jcc.21600

Download citation : BibTex or RIS

Download the stable version

The current stable version of gabedit is 2.5.0

(update : July 10, 2017)

The source files for all systems(tar.gz file) : Download
(To compile Gabedit under Mac OS X see here)

The Gabedit installer for Linux 64 bits : Download

The Gabedit installer for Windows (OpenGL) : Download

Here is a list of the significant changes between 2.5.0 and 2.4.8:

Minor bugs fixed.
New tools for VASP :
* read geometries (Optimization or M. Dynamic) from VASP OUTCAR file
* read geometry from VASP POSCAR file.
* Create VASP POSCAR file.
* Read dielectric function from a VASP xml file and compute optic properties : the refractive index n(w), the extinction
coefficient k(w), the absorption coefficient alpha(w), the reflectivity R(w), the energy loss spectrum L(w), and the optical conductivity sigma(w).
* read data from vasprun.xml and plot DOS, pDOS and, Bands structures
Gabedit can now read the hessian from .hess orca file. After reading of the hessian, Gabedit compute frequencies, modes and effective masses.
Export in CChemI : update
Tv accepted (used by Gaussian and Mopac for periodic system). Using Tv, Gabedit can generate other cells
deMon2k is now supported (Thanks to Dennis Salahub, Mauricio Chagas da Silva, Jonathan Kung and Morteza Chehelamirani for their suggestions, corrections, comments,...)
Gabedit can now compute the anharmonic spectrum by QM/MMFF94 method using iGVPT2 program. Gabedit can read the harmonic and anharmonic spectra from an iGVPT2 output file.
Energy, geometry optimization, MD, MD Conformations search by MMFF94, MMFF94s, UFF and Ghemical potentials are now supported by Gabedit via Open Babel. For more information, see here.
Energy, geometry optimization, MD, MD Conformations search using your own program (potential) are now supported. DFTB+ is supported via this new tool. For more information, see here.

Developement version

The current development version of gabedit is 2.5.1

(update : July 30, 2020)

The source files for all systems(tar.gz file) : Download
(To compile Gabedit under Mac OS X see here)

Linux 64 binary files (OpenGL & Cairo ) : Download

The Gabedit installer for Windows (OpenGL & Cairo) : Download

Here is a list of the significant changes between 2.5.1 and 2.5.0:

Minor bugs fixed.
New tool to compute the thermochemistry properties : Display window/Animation/Vibration
Global and local reactivity indices can be calculated by Finite Difference or Frontier Molecular Orbitals : Display window/Reactvity Indices.
2018 Windows version of Gamess supported (Install Gamess in C:\Users\Public\gamess-64 and copy or rename gamess.2018-R1-pgi.exe in gamess.11-64.exe )
Several new crystallography tools have been implemented. Gabedit can now :

Read CIF file.
Build SuperCell.
Build Slab.
Build Cluster using Wulff construction.
Export structure in CIF file (with or without symmetry operators).
Reduce Cell to primitive, Niggli or Delaunay one.
Compute space group & symmetry operators.
Standardize cell (to conventional or to primitive).
Generate k-points along high symmetry lines, for band structure calculations.
Get a prototype crystal from a database implemented in Gabedit.
They are available by selecting "Crystallography" from "Draw window" menu. The list of references used to implement these tools can be obtained from: Draw window/Crystallography/Help& references.

Gabedit can now compute local vibrationnal modes. The implemented method is that described in Christoph R. Jacob & Markus Riher , J. Chem Phys. 130 (2009) 084106 and Xiaolu Cheng, Justin J. Talbot, and in Ryan P. Steele, J. Chem. Phys. 145 (2016) 124112