Commit 9931d1e5 authored by giannozz's avatar giannozz
Browse files

Variable ikk not initialized in LSDA+nonlinear core corrections

parent 415d262d
......@@ -114,6 +114,10 @@ subroutine dvqpsi_us (ik, uact, addnlcc)
!
! add NLCC when present
!
ikk = ikks(ik)
ikq = ikqs(ik)
npw = ngk(ikk)
npwq= ngk(ikq)
if (nlcc_any.and.addnlcc) then
drhoc(:) = (0.d0, 0.d0)
do na = 1,nat
......@@ -181,10 +185,6 @@ subroutine dvqpsi_us (ik, uact, addnlcc)
!
! Now we compute dV_loc/dtau in real space
!
ikk = ikks(ik)
ikq = ikqs(ik)
npw = ngk(ikk)
npwq= ngk(ikq)
CALL invfft ('Rho', aux1, dffts)
do ibnd = 1, nbnd
do ip=1,npol
......
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