Commit 3fc89d84 authored by paulatto's avatar paulatto

Check that the atoms selected by nat_todo do not depass the actual number of atoms



git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@8741 c92efa57-630b-4861-b058-cf58834340f0
parent 912eefae
......@@ -449,6 +449,8 @@ subroutine phq_setup
!
ifat = 0
DO na = 1, nat_todo
IF(atomo(na)>nat .or. atomo(na)<1) &
CALL errore('phq_setup', 'one of atoms to do (nat_todo) is < 0 or > nat', 1)
ifat (atomo (na) ) = 1
DO isym = 1, nsymq
irot = irgq (isym)
......
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