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.............................EJB

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This commit is contained in:
Eric Bylaska 2005-02-09 02:39:10 +00:00
parent b79d936e23
commit 3ba73ec4ec
1 changed files with 8 additions and 4 deletions
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12
src/nwpw/pspw/lib/psi/psi.F
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@ -1,9 +1,12 @@
*
* $Id: psi.F,v 1.59 2005-01-17 20:51:33 edo Exp $
* $Id: psi.F,v 1.60 2005-02-09 02:39:10 bylaska Exp $
*
* $Log: not supported by cvs2svn $
* Revision 1.59 2005/01/17 20:51:33 edo
* fixed a couple of FPEs
*
* Revision 1.58.2.1 2005/01/17 20:51:06 edo
* fixed a couple of FPEs
*
@ -3821,7 +3824,7 @@ c > dcpl_mb(dng1(1)))
common / rhoall_block / rho1_all,rho2_all
* ***** local variables ****
integer u,v
integer u,v,gga
real*8 exc,pxc
real*8 pi,scal,hm(3,3),tstress(3,3)
@ -3854,8 +3857,9 @@ c > dcpl_mb(dng1(1)))
* **** PBE96 GGA part ****
* **** finished? 11/24/04 - still need to test ***
if (control_gga().eq.1) then
call v_bwexc_euv(2*nfft3d,ispin,dbl_mb(rho1_all(1)),tstress)
gga = control_gga()
if ((gga.eq.1).or.(gga.eq.2)) then
call v_bwexc_euv(gga,2*nfft3d,ispin,dbl_mb(rho1_all(1)),tstress)
do v=1,3
do u=1,3
stress(u,v) = stress(u,v) + tstress(u,v)