Qbox home page
Qbox is a C++/MPI scalable parallel implementation of first-principles
molecular dynamics (FPMD) based on the plane-wave, pseudopotential formalism.
Qbox is designed for operation on large parallel computers.
The Qbox User Guide
describes the main features of the code.
The design of Qbox is discussed in the following
(IBM J. Res. Dev. 52
The Qbox bugs database describes bugs found in Qbox.
A set of tools
is available for post-processing and visualization of Qbox output.
A forum dedicated to questions regarding Qbox installation and use is available at
latest release: 1.60.4
A precompiled executable is available for Mac OS X Mavericks (x86_64).
New features, bug fixes and known bugs are described in the
. See also the "notes"
file in the source directory of the distribution, and the