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Bugfix in pw2wannier90 compute_orb with LSDA

This commit is contained in:
Jae-Mo Lihm 2021-05-02 11:25:01 +09:00
parent c03aaa6e2e
commit c4a9f7dd1a
1 changed files with 3 additions and 2 deletions
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5
PP/src/pw2wannier90.f90
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@ -2645,7 +2645,7 @@ SUBROUTINE compute_orb
USE mp, ONLY : mp_barrier
USE scf, ONLY : vrs, vltot, v, kedtau
USE gvecs, ONLY : doublegrid
USE lsda_mod, ONLY : nspin
USE lsda_mod, ONLY : lsda, nspin, isk, current_spin
USE constants, ONLY : rytoev
IMPLICIT NONE
@ -2790,7 +2790,8 @@ SUBROUTINE compute_orb
!
npw = ngk(ik)
! sort the wfc at k and set up stuff for h_psi
current_k=ik
current_k=ik+ikstart-1
IF ( lsda ) current_spin = isk ( ik+ikstart-1 )
CALL init_us_2(npw,igk_k(1,ik),xk(1,ik),vkb)
!
! compute " H | u_n,k+b2 > "