Scientific software

1. Bands structure software used in our group

2. DMFT related programs

3. Numerical Methods

4. Plotting programs

  • Xmgrace - perfect program for plotting and analyzing data with the GUI interface;
  • Gnuplot -  for plotting and analyzing data with a command line interface (Manual);
  • OpenDX - vizualization and numerical analysis of the data
  • PowderCell - was designed for the refinement of crystal structure. However, it's quite useful to get atomic positions in different notations of the space group (highy recommended to Wien2k users, where structure generator is very poor.)
  • Programs just for plotting crystal: Diamond (Win, works under wine in Linux), CaRIne (Win),
  • Xcrysden (Linux, Win, Mac.) - works with input files of Wien2k, PW-SCF, LMTO (additional plug-in is needed). One of the advantages: it may save the structure in wien2k format. The deficiency - one cannot remove any atoms.
  • Vesta (Linux, Win, works with input files )

5. Utilities

  • This of that may help if you want to make a tight-binding calculations with python

6. Fortran

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