Added check on values of cosab, cosac, cosbc

git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@10641 c92efa57-630b-4861-b058-cf58834340f0
2013-12-14 21:41:35 +00:00 · 2013-12-14 21:41:35 +00:00 · b792fd708b
parent 681afcc2da
commit b792fd708b
1 changed files with 3 additions and 0 deletions
--- a/Modules/cell_base.f90
+++ b/Modules/cell_base.f90
@ -198,6 +198,9 @@
        celldm(1) = a / bohr_radius_angs
        celldm(2) = b / a
        celldm(3) = c / a
+        IF ( (ABS(cosab) > 1.0_dp) .OR. (ABS(cosac) > 1.0_dp) .OR. &
+             (ABS(cosbc) > 1.0_dp) ) CALL errore ('cell_base_init',&
+                         'incorrect values for cosab, cosac, cosbc',1)
        !
        IF ( ibrav == 14 ) THEN
           !