General Tools

The group has created several post-processing tools and extra software in order to use the output of the ab initio codes. Many of these (not so) little programs are available.

  • INTERSPECTUS is an interpolation program able to create intermediate spectra. Typical examples are electron energy loss spectra at different momentum transfer. The program, extensively called INTERpolation of SPECTra Using Sum rules is freely available in both Fortran and Python. See the Interspectus page for more info.
  • CumuPy is a python code to compute the spectral functions in the cumulant expansion approximations. The code is written based on the cumulant code of Matteo Guzzo. Today it is maintained and developed by Jianqiang (Sky) Zhou. It is written in python 2.7. The required modules are numpy, scipy, matplotlib, pyfftw(>=0.10.4). This code is written according to abinit GW output. Thus all the inputs in the test folder are from abinit calculation with some post process.
    The code together with a more detailed explanation, is availble on github
  • DPio is a useful python module to efficiently use matplotlib or xmgrace to illustrate spectra obtained with DP and EXC. The author is Ralf Hambach. The code, and more info are available on the DPio page.