Search Results for "tight binding fortran"
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Showing 18 open source projects for "tight binding fortran"
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GMP Fortran library
Fortran binding for GMP library
Fortran binding for GMP library. Currently gfortran compiler supported on Linux and MS Windows (MinGW) platforms. Included Fortran program for solving Archimedes's cattle problem. -
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TBStudio
A quantum technical software to find Tight-Binding model of structures
TBStudio is a powerful quantum technical software package to construct Tight-Binding (TB) model for nano-scale materials. Starting from the simplified linear combination of atomic orbitals method in combination with first-principles calculations (such as OpenMX or Vasp packages), one can construct a TB model in the two-centre approximation. Using Slater and Koster approach we calculate the TB Hamiltonian of the system and use a nonlinear fitting algorithm to find the best entries for both... -
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Qutranpy
Interactive electronic quantum transport
Interactive program to perform quantum transport calculations by means of the Landauer and scattering matrix formalism, in a two terminal geometry. The Hamiltonians of leads and scattering region can be modified, adding exchange fields, mass, spin-orbit coupling or superconductivity. -
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Quantum Honeycomp
Interactive program to calculate electronic properties in graphene
Calculate electronic properties of graphene-like systems with a user friendly interface. The code uses the tight binding approximation and it is able to stude in a 0D, 1D and 2D geometries, orbital and magnetic fields, intrinsic and extrinsic spin-orbit coupling, sublattice imbalance, and interactions at the mean field level. The most recent version can be found in https://github.com/joselado/quantum-honeycomp Example videos https://www.youtube.com/watch?v=8gO1yRmwgAs https... -
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OLIFE
A tight binding based transmission calculation code
A new and human-friendly transport calculation code has been developed. It requires a simple tight binding Hamiltonian as the only input file and uses a convenient graphical user interface to control calculations. The effect of magnetic field on the molecular junction has also been included. Furthermore the transmission coefficient can be calculated between any two points on the scatterer which ensures high flexibility to check the system. Therefore Olife can highly be recommended... -
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condensed matter laboratory
Application for quantum simulation and statistical properties
Condensed-Matter-Laboratory (CML) is an application for simulating solids and nanostructures and calculating different properties of them by density functional theory and using Green's function theory in tight-binding approximation to calculate phononic and spin dependent or independent electronic properties of different systems. Furthermore, it can be used for calculating thermodynamic properties of solids and nanostructures using statistical mechanics. The CML is a cross-platform application... -
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TUBE
Generating structures of nanotubes and some fullerenes
A Windows software for generating structures of nanotubes and some fullerenes. You can generate any kind of nanotubes (n,m) with chirality indices n and m ranging from 0 to 60, and the number of repetitive unit cells up to 50. You can also generate some typical fullerene cages from C20 up to C320. -
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Python library to perform electronic structure calculations with tight binding models in different types of lattices and different dimensionalities. It allows to include different terms in the Hamiltonian as sublattice, exchange field or magnetic field. Provides functions to calculate different Green functions, band structure, density of states, transport using Landauer formula, topological invariants, etc.
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newDNA-Prot
dna binding protein predict soft
newDNA-Prot by Wei Zheng (jlspzw139@sina.com) This program will predict the DNA-binding proteins when input a protein sequence (Fasta format), it is supplied in source code form along with the required data files and run under the windows. we firstly need to download the newDNA-Prot.tar. After decompressing this files,we must firstly download the fortran-windows (https://gcc.gnu.org/wiki/GFortranBinaries/) and install the gfortran-windows-20140523.exe.(In this program, the comprehensive... -
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ANT.1D
Quantum transport for tight-binding and ab initio Hamiltonians
ANT.1D is a stand-alone quantum transport code for essentially one-dimensional setups described by tight-binding or ab initio Kohn-Sham Hamiltonians obtained from other codes working with atomic basis sets (Gaussian, Crystal,SIESTA). Interfaces with Crystal and Gaussian codes are available. Electrodes are described either by nanowires of finite thickness or Bethe lattice electrodes. -
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graphene-like-ribbons
Calculate electronic properties of graphene-like nanoribbons
User friendly interface for calculating electronic properties in graphene-like ribbons. The programs uses the tight binding approximation and mean field Hubbard model to predict electronic properties of graphene-like nanoribbons. See Discussion to ask questions or details Update: New versions of this program will be known as quantum-honeycomp -
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MTBC
Matlab Tight-Binding Calculator
Matlab Tight-Binding Calculator -
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FGSL
Fortran interface to GSL
This project provides a thick binding to a large subset of the GNU Scientific Library API, using the C interoperability functionality provided in Fortran 2003. -
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Ada Lapack
A partial port of Lapack to Ada 2012
... coefficient matrices, - Singular value decomposition for general matrices Also included is a set of functions (and two procedures) that provide a more familiar Ada style interface to the Lapack routines. See also AdaLAPACK (https://sourceforge.net/projects/adalapack/), a binding to the Fortran LAPACK. -
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XGKS is a level 2C implementation of the ANSI Graphical Kernel System (GKS) for use in a Unix environment with the X Window System. It supports the Fortran language binding and a C language binding based on the 1988 draft.
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AdaLAPACK
Ada binding to LAPACK
This contains an Ada binding to LAPACK. The original code was written by Wasu Chaopanon and this branch uses the code from http://12000.org/my_notes/ada/lapack_and_blas/index.htm. See also Ada Lapack (https://sourceforge.net/projects/ada-lapack/), where the Fortran LAPACK routines are being translated to native Ada. The software is issued under the GPL Version 2 with the following additional permission: As a special exception, if other files instantiate generics from this unit, or you...
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