Line data    Source code

       1              : !--------------------------------------------------------------------------------
       2              : ! Copyright (c) 2024 Peter Grünberg Institut, Forschungszentrum Jülich, Germany
       3              : ! This file is part of FLEUR and available as free software under the conditions
       4              : ! of the MIT license as expressed in the LICENSE file in more detail.
       5              : !--------------------------------------------------------------------------------
       6              : 
       7              : MODULE m_vgen_constraint
       8              :     IMPLICIT NONE
       9              :     CONTAINS
      10            0 :     subroutine vgen_constraint(atoms,noco,nococonv,vtot)
      11              :         use m_types
      12              :         TYPE(t_atoms),INTENT(in)    :: atoms
      13              :         TYPE(t_noco),INTENT(IN)     :: noco
      14              :         TYPE(t_nococonv),INTENT(IN) :: nococonv
      15              :         TYPE(t_potden),intent(INOUT):: vtot
      16              : 
      17              :         integer:: n
      18            0 :         DO n=1,atoms%ntype
      19            0 :             if (.not.noco%l_constrained(n)) cycle
      20            0 :             vtot%mt(:,0,n,3)=-0.5*nococonv%b_con(1,n)
      21            0 :             vtot%mt(:,0,n,4)=0.5*nococonv%b_con(2,n)
      22              :         ENDDO
      23            0 :     END subroutine
      24              : end module