[3896] in Software_Announce
Espresso on Athena updated to 5.0.1
daemon@ATHENA.MIT.EDU (Alex T Prengel)
Thu Oct 25 19:43:39 2012
From: Alex T Prengel <alexp@MIT.EDU>
To: software-announce@mit.edu
Cc: alexp@mit.edu, cfyi@mit.edu
Date: Thu, 25 Oct 2012 19:43:26 -0400
I've updated Espresso on Athena to 5.0.1. Espresso is a computational
molecular chemistry application for quantum mechanical simulation of
extended or isolated systems. For usage instructions see
http://ist.mit.edu/node/1408#Espresso
>From my message to users:
Quantum Espresso on Athena has been updated to release 5.0.1. pwgui,
a GUI for interfacing to the pw.x, ph.x, pp.x, d3.x, projwfc.x, ld1.x
and other binaries and xcrysden have also been installed. (pwgui
requires installation of the iwidgets4 Ubuntu package). To launch these,
type:
pwgui &
or
xcrysden &
in the window launched by the setup command.
Alex
