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NPT_I bug fix. vol factors removed from

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stress calculation in pw_poisson_solver.
The volume factors were present in
pw_integral_**.


svn-origin-rev: 24
This commit is contained in:
Chris Mundy 2001-06-30 18:47:17 +00:00
parent b2d8ae4d46
commit 8172c84cda
1 changed files with 1 additions and 1 deletions
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src/pws.F
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@ -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