CP2K - new version release - 2.4
teodor... at gmail.com
Fri Jun 14 22:07:23 CEST 2013
the new CP2K version 2.4 (June 13, 2013) is released.
The new version includes a series of bug fixes and the following new functionalities:
GPW-MP2 & RPA
Non-local vDW functionals, PBEsol
Integrated basis set optimisation
Support for non-linear core corrected pseudos
Additional linear scaling algorithms and properties
Possibility of using image charges
Periodic RESP charges
ELPA eigensolver support
Improved ifort/MKL support
process topology mapping for Cray Gemini
We invite everybody to download and use the new version, by checking out our SourceForge project page.
There are also pre-compiled statically linked sopt and ssmp executables for Linux available for download.
The new manual can be accessed via http://manual.cp2k.org/ as usual.
We invite you to report any issue here, or in case of confirmed bug, opening a ticket on the SourceForge cp2k page.
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