What is Shegeft?
Shegeft is a suit of highly usable, feature rich tools for multi-scale simulating thermodynmical properties of real materials. Shegeft's engine is written in Fortran90 and runs under unix and linux OS.
It comprises of 3 comprehensive projects, Intrinsic, Thron and Mango to perform a multi-scale simulation from electronic upto atomistic level by least previous knowledge.
Originaly Thron was developed by Ashkan Naeini during his residence in Villingen, Germany 2007. It was proposed for molecular dynamic simulation of transport properties of solids. Further to extend the range of its application, a global potential fitting program, Mango, was added. Finally the multiscale tool Shegeft emerged from merging an additional abinitio program, Intrinsic.
SHEGEFT is copyrighted by Ashkan Naeini. In order to license it please contact thron@shegeft.org