Author Topic: TURBOMOLE 7.5.1 released  (Read 191 times)

uwe

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TURBOMOLE 7.5.1 released
« on: March 02, 2021, 04:14:46 PM »
TURBOMOLE V7.5.1 has been released (January 2021)

New features
Fixes and enhancements
  • Check added for outlying charge correction when using COSMO FINE cavity (Isorad) to ensure stability of the algorithm.

  • Vibrational frequencies for unrestricted DFT calculations using MGGA functionals with the libxc library re-enabled.

  • Enhance relativistic calculations with general-contracted bases