From giannozz at democritos.it  Fri Apr  1 18:09:56 2011
From: giannozz at democritos.it (Paolo Giannozzi)
Date: Fri, 01 Apr 2011 18:09:56 +0200
Subject: [Pw_users] Quantum ESPRESSO v.4.3
Message-ID: <1301674196.648.9.camel@fe12lx.fisica.uniud.it>

Version 4.3 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:

* vdW-DF - Dispersion interactions (van der Waals) with nonlocal
functional
  in PWscf (Brian Kolb, Timo Thonhauser, Riccardo Sabatini, SdG)
* New package TDDFPT for calculations of spectra using Time-Dependent
  Density-Functional Perturbation Theory (SB, Ralph Gebauer, Baris
Malcioglu,
  Dario Rocca, Brent Walker)
* Additions to projwfc: k-resolved DOS, LDOS integrated in selected
  real-space regions
* Constant-volume variable-cell optimization
* Non-colinear and spin-orbit PAW
* CP only, experimental: parallelization over Kohn-Sham states
* CP only, experimental: penalty functional technique in DFT+U
calculations

Note the following major change:

* code pw.x no longer performs NEB calculations. NEB is now computed
  by a separate code, NEB/neb.x . NEB-specific variables are no longer
  read by pw.x; they are read by neb.x after all pw.x variables
* NEB for cp.x no longer available

For other minor improvements, changes, 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