[3167] in Software_Announce
Espresso on Athena updated to 4.1.1
daemon@ATHENA.MIT.EDU (Alex T Prengel)
Tue Nov 3 12:57:57 2009
To: software-announce@mit.edu
cc: alexp@mit.edu, cfyi@mit.edu
Date: Tue, 03 Nov 2009 12:57:44 -0500
From: Alex T Prengel <alexp@MIT.EDU>
I've updated Quantum Espresso on Athena to 4.1.1. Espresso is a computational
molecular chemistry application. To run it, type "setup espresso" and run
Espresso commands in the window that opens. More information is at
http://web.mit.edu/acs/www/simulation.html#Espresso.
From my message to users:
Espresso on Athena has been updated to release 4.1.1 (Linux only). 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. To launch it, type:
pwgui &
or
xcrysden &
in the window launched by the setup command.
Alex
