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Revert: it looks like n=3 actually *is* the most common choice 

LP


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4953 c92efa57-630b-4861-b058-cf58834340f0
This commit is contained in:
paulatto 2008-05-29 12:19:30 +00:00
parent 7478e02134
commit 947832c6d8
1 changed files with 4 additions and 4 deletions
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8
flib/invmat.f90
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@ -36,15 +36,15 @@ subroutine invmat (n, a, a_inv, da)
call DGETRI (n, a_inv, lda, ipiv, work, lwork, info)
call errore ('invmat', 'error in DGETRI', abs (info) )
!
if (n /= 3) then
da = 0.d0
return
else
if (n == 3) then
da = a(1,1)*(a(2,2)*a(3,3)-a(2,3)*a(3,2)) + &
a(1,2)*(a(2,3)*a(3,1)-a(2,1)*a(3,3)) + &
a(1,3)*(a(2,1)*a(3,2)-a(3,1)*a(2,2))
IF (ABS(da) < 1.d-10) CALL errore(' invmat ',' singular matrix ', 1)
else
da = 0.d0
end if
return
end subroutine invmat