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This installation notes are based on installations on Linux operating system. Here, we are using Ubuntu distro as Linux system. However, other linux distros will also work with similar commands. If you are new to Linux, please continue with Ubuntu Linux and our commands given below,

Required softwares for successfully running gpaw-tools software:

  • Linux Operating system (can be independently installed, virtually installed or installed as WSL distro under Windows Operating system)
  • Python 3.7 or above (with PIP and TK packages)
  • Atomic Simulation Environment (ASE) (will automatically install to NumPy, SciPy, Matplotlib packages)
  • GPAW
  • BLAS, LibXC, MPI, LibKIM, OpenKIM and ScaLAPACK packages
  • Some other Python packages like Elastic, spglib, kimpy, ASAP3, Phonopy.

Installation information of these necessary software for different systems:

After finishing a proper base for gpaw-tools, you can proceed with the installation information of gpaw-tools.

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