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If the bisection algorithm was used the initialization of "count" could be skipped. 

LP


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4236 c92efa57-630b-4861-b058-cf58834340f0
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paulatto 2007-09-13 10:31:33 +00:00
parent c945cd947e
commit 6500eb11cd
1 changed files with 1 additions and 1 deletions
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atomic/ascheqps.f90
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@ -146,8 +146,8 @@ subroutine ascheqps(nn,lam,jam,e,mesh,ndm,grid,vpot, &
elw=eup
detlw=detup
enddo
count=0
100 continue
count=0
if(e.gt.eup) e=0.9_DP*eup+0.1_DP*elw
if(e.lt.elw) e=0.9_DP*elw+0.1_DP*eup
!