[DFTB-Plus-User] DFTB+ 1.1 release candidate

[Benjamin Hourahine]

Hello,

sorry for the delay in replying, the stress tensor is calculated in atomic units,
and printed in atomic unit of force / atomic length^2.

Regards

Ben
________________________________________
From: dftb-plus-user-bounces at dftb-plus.info [dftb-plus-user-bounces at dftb-plus.info] On Behalf Of Hegoi Manzano [hmanzano at MIT.EDU]
Sent: 17 April 2010 01:42
To: User list for DFTB+ related questions
Subject: Re: [DFTB-Plus-User] DFTB+ 1.1 release candidate

Dear dftb+ community,

Anyone knows the unit of the stress tensor in dftb+ 1.1 release?

Thank you!


_____________________________________________
Dr. Hegoi Manzano

Concrete Sustainability Hub.
Massachusetts Institute of Technology, Room 1-370
77 Massachusetts Avenue, Cambridge, MA02139
e-mail: hmanzano at mit.edu // hegoi.manzano at gmail.com
           www.hegoi-manzano.blogspot.com
______________________________________________
_______________________________________________
DFTB-Plus-User mailing list
DFTB-Plus-User at dftb-plus.info
http://www.dftb-plus.info/mailman/listinfo/dftb-plus-user