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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.


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) 174–182doi: 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.

abdulrahman allouche,
Jan 17, 2018, 7:14 AM
abdulrahman allouche,
Jan 17, 2018, 10:05 AM