Julia codes

• Simple tight binding code for 2D hBN: tb_hexagonal.jl
• DOS for the tight-binding 2D hBN: DOS_tb.tar.gz
• Berry Connection in tight-binding: Berry_Connection.tar.gz
• Density matrix EOM in the Wannier basis:
• Christoph Ortner codes (external code)
• Non-orthogonal tight-binding (external code)

Bash Scrips

• rename.sh rename files, usage: rename.sh gif jpeg
• ubusy.sh unmount busy file system, usage: ubusy.sh /mnt/cdrom
• psmall.sh resize and change names
  to images in a directory, usage: psmall.sh
  ~/myphoto
• sxw2txt.sh convert an OpenOffice
  file to a text file, usage: sxw2txt.sh
  mydoc.sxw
• make_short.sh convert a ps file to one with for pages per sheet (by L. Stella), usage:make_short.sh filename
• latex2png.sh convert a latex formula in a png image, usage:latex2png.sh formula_filename resolution

Molecular Dynamics Utilities

• autocorr.f90 evaluate autocorrelation function with error
• makefcc.f90 generate a fcc lattice for a squared simulation box
• makebcc.f90 generate a bcc lattice for a squared simulation box
• pot_ewald.tgz C++ class for simple Ewald sums

Tight-Binding

• spnnsi.f90 A simple sp3 nearest neighbors tight-binding code for Silicon
• sp3d5s.tgz A sp3d5s* tight-binding code for Silicon that use the parameters of Phys. Rev. B 69 115201
• sp3_3nn.tgz A sp3 third nearest neighbors tight-binding code for Silicon (Phys. Rev. B 62 5109). This package includes the files to calculate the density of states and the dielectric constant of Silicon.

Scripts for Abinit

• makexyz.tgz Make xyz file from the abinit input file

Quantum Monte Carlo

• Qumax a Quantum Monte Carlo Software for molecular systems

2D Electron Gas

• LSD2D.f90 Correlation Energy and Spin Polarization in the 2D Electron Gas Int. J. Quantum Chem. 91, 126 (2003) and Phys. Rev. Lett. 88, 256601 (2002)

C and C++ codes

• MyLapack A very simple interface for BLAS and LAPACK. Vectors and matrices are objects with the possibility of bonding check. Compatible with ATLAS ,ACML and MKL.
• debug.h A simple function to perform tracing and debugging of C and C++ programs in a elegant way.

Php

• Publications parser A simple php parser for the data produced by “ISI Web of Science”. It can be used to create an easy to update publication list for groups or entire institutes.

Fortran and Fortran 90 codes

• mathvec.tgz A very simple interface for ACML Fast Vector Math and MKL Vector Mathematical Functions.
  

  Python scripts

• Ordinary differential equations integrators (Euler, 2nd and 4th order Runge-Kutta): rk2and4.py