CCL:G: Stress calculations in DFT

From: "Oscar U Ojeda" <Oscar.Ojeda!A!chemail.tamu.edu>
Subject: CCL:G: Stress calculations in DFT
Date: Tue, 26 Aug 2008 10:52:55 -0400

 Sent to CCL by: "Oscar U Ojeda" [Oscar.Ojeda[]chemail.tamu.edu]
 Dear CCLr's
 I would like to inquire if anybody knows how to properly calculate
 stresses in periodic boundary condition codes; I have found that most planewave
  codes do this rather easily, while Gaussian-type-orbital codes never
 report the total stress in a calculation. Most people mention Pulay stresses as
 the main source of headache.
 Any kind pointer to a particularly digestible reference is highly appreciated.
 Best
 Oscar