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update release-notes

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MinoruOtani 2020-08-14 15:29:40 +09:00
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@ -3,6 +3,16 @@ New in development version:
(U. Manchester), N. Colonna, M. Marsili, N. Marzari, P. Umari
* Many-Body Dispersion (MBD) correction: Szabolcs Goger (U. Luxembourg),
Hsin-Yu Ko (Cornell), et al.
* Grand-Canonical SCF (J. Chem. Phys. 146, 114101 (2017)) for constant-mu
method is implemented by S. Nishihara and S. Hagiwara.
Fixed in development version:
* Fictitious charge particle (FCP) works again.
* For ESM calcualtion: Shift a half mesh along z-direction when nr3 is even.
Incompatible changes in dev version:
* lfcpopt & lfcpdyn are replaced by lfcp. Only static optimization of
the Fermi energy works. Currently, molecular dynamics with FCP does not work.
New in 6.7 version:
* Support for CMake (F. Ficarelli and D. Cesarini, CINECA, with help from
@ -85,7 +95,7 @@ Fixed in v.6.6:
now works properly - courtesy Andrea Urru and Andrea Dal Corso.
* Incorrect forces, and slightly inconsistent atomic positions, were
written to xml file for structural optimization and molecular dynamics
* Some Bravais lattices with special axis orientations were not correctly
now works properly - courtesy Andrea Urru and Andrea Dal Corso.
written to xml file, leading to errors in some codes (e.g., thermo_pw)
using that piece of information (fixed by Alberto Otero de la Roza)
* PPACF wasn't working with the "lfock" option: wavefunctions were no longer