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DMFTwDFT

DMFTwDFT is an open-source, user-friendly framework to calculate electronic, vibrational and elastic properties in strongly correlated materials (SCM) using beyond-DFT methods such as DFT+U, DFT+Hybrids and DFT+DMFT (Dynamical Mean Field Theory) with a variety of different DFT codes.

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Installation and usage

Please refer to the documentation.

Contributors

Hyowon Park
Aldo Romero
Kristjan Haule
Chris Marianetti
Uthpala Herath

Support packages

PyProcar
PyChemia

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Changes

v1.0 July 31, 2018 - Initial release (Command line version)

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A framework to treat strongly correlated materials using beyond-DFT methods

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  • C++ 52.5%
  • Python 17.4%
  • Roff 15.1%
  • Fortran 11.2%
  • C 3.4%
  • Makefile 0.4%