[Pw_users] Quantum ESPRESSO v.4.2

Paolo Giannozzi giannozz at democritos.it
Wed May 12 11:47:07 CEST 2010


Version 4.2 of the Quantum ESPRESSO distribution is available for
download from the website http://www.quantum-espresso.org . This
release contains the following improvements over previous versions:

    * HSE exchange-correlation functionals (courtesy of Hannu-Pekka  
Komsa)
    * New package GWW for GW calculations with Wannier functions
      (courtesy of Geoffrey Stenuit and Paolo Umari)
    * Grid parallelization for the phonon code
    * Improved mixed openMP-MPI parallelization
    * Martyna-Tuckerman algorithm for isolated systems

plus other minor improvements and bug fixes (see file Doc/release- 
notes).

Everybody who is using the Quantum-ESPRESSO distribution is encouraged
to upgrade and to report problems to the mailing list.

The Quantum ESPRESSO group
---
Paolo Giannozzi, Democritos and University of Udine, Italy




More information about the Pw_users mailing list