From 8172c84cdacc3eefaa7dd3a317203777e56eb6c2 Mon Sep 17 00:00:00 2001 From: Chris Mundy Date: Sat, 30 Jun 2001 18:47:17 +0000 Subject: [PATCH] NPT_I bug fix. vol factors removed from stress calculation in pw_poisson_solver. The volume factors were present in pw_integral_**. svn-origin-rev: 24 --- src/pws.F | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/pws.F b/src/pws.F index 74772b1486..39273721d9 100644 --- a/src/pws.F +++ b/src/pws.F @@ -181,7 +181,7 @@ SUBROUTINE pw_poisson_solver ( density, ehartree, vhartree, dvhartree, h_stress ! and the volume factor of the plane waves IF ( PRESENT ( h_stress ) ) THEN - ffa = -pw_grid % vol / fourpi + ffa = -1.0_dbl / fourpi h_stress = 0._dbl DO alpha = 1, 3 h_stress ( alpha, alpha ) = ehartree