diff --git a/PH/solve_e_nscf.f90 b/PH/solve_e_nscf.f90 index 3e38c0f69..b8b0f45dd 100644 --- a/PH/solve_e_nscf.f90 +++ b/PH/solve_e_nscf.f90 @@ -87,6 +87,11 @@ subroutine solve_e_nscf( avg_iter, thresh, ik, ipol, dvscfs, auxr ) nrec = (ipol - 1) * nksq + ik call davcio (dpsi, lrdwf, iudwf, nrec, -1) call pcgreen (avg_iter, thresh, ik, et (1, ik)) +! +! The pcxpsi on file could be at k+dk and cannot be used by the following +! codes that require pcxpsi at k. +! + this_pcxpsi_is_on_file(ik,ipol)=.false. return end subroutine solve_e_nscf