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Added check to prevent usage of iterative diagonalization where it cannot work 

git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6229 c92efa57-630b-4861-b058-cf58834340f0
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giannozz 2009-12-02 14:13:40 +00:00
parent 233a5e336f
commit 81ea8f002c
1 changed files with 3 additions and 0 deletions
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PW/c_bands.f90
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@ -208,6 +208,9 @@ SUBROUTINE diag_bands( iter, ik, avg_iter )
!
! ... allocate space for <beta_i|psi_j> - used in h_psi and s_psi
!
IF ( nbndx > npwx ) &
CALL errore ( 'diag_bands', 'too many bands, or too little plane waves',1)
!
CALL allocate_bec_type ( nkb, nbnd, becp )
!
IF ( gamma_only ) THEN