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bugfix in SLWF+C #207

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Oct 10, 2018
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10 changes: 4 additions & 6 deletions src/wannierise.F90
Original file line number Diff line number Diff line change
Expand Up @@ -1683,9 +1683,8 @@ subroutine wann_omega(csheet, sheet, rave, r2ave, rave2, wann_spread)
!! Calculate the Wannier Function spread !
! !
! Modified by Valerio Vitale for the SLWF+C method (PRB 90, 165125)!
! Jun 2018
! Based on a previous implementation by Charles T. Johnson
! and original implementation by Radu Miron
! Jun 2018, based on previous work by Charles T. Johnson and !
! Radu Miron at Implerial College London
!===================================================================
use w90_parameters, only: num_wann, m_matrix, nntot, wb, bk, num_kpts, &
omega_invariant, timing_level, &
Expand Down Expand Up @@ -1958,9 +1957,8 @@ subroutine wann_domega(csheet, sheet, rave, cdodq)
! Calculate the Gradient of the Wannier Function spread !
! !
! Modified by Valerio Vitale for the SLWF+C method (PRB 90, 165125)!
! Jun 2018
! Based on a previous implementation by Charles T. Johnson
! and original implementation by Radu Miron
! Jun 2018, based on previous work by Charles T. Johnson and !
! Radu Miron at Implerial College London
!===================================================================
use w90_parameters, only: num_wann, wb, bk, nntot, m_matrix, num_kpts, &
timing_level, selective_loc, &
Expand Down
2 changes: 1 addition & 1 deletion test-suite/tests/jobconfig
Original file line number Diff line number Diff line change
Expand Up @@ -310,7 +310,7 @@ output = gaas-sc_xyz.dat

# Test of selective localization and constrained centres
[testw90_example26]
program = WANNIER90_WOUT_OK
program = WANNIER90_SLWFC_WOUT_OK
inputs_args = ('gaas.win', '')
output = gaas.wout

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