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
