Skip to content

Commit

Permalink
Fix typo in comment; init variable
Browse files Browse the repository at this point in the history
  • Loading branch information
mkrack committed Feb 7, 2019
1 parent 01062fc commit f8f9096
Showing 1 changed file with 2 additions and 1 deletion.
3 changes: 2 additions & 1 deletion src/qs_rho0_methods.F
Original file line number Diff line number Diff line change
Expand Up @@ -223,13 +223,14 @@ SUBROUTINE calculate_rho0_atom(gapw_control, rho_atom_set, rho0_atom_set, &

nr = g_atom%nr

! Set density coefficient to zero befor the calculation
! Set density coefficient to zero before the calculation
DO iat = 1, natom
iatom = a_list(iat)
rho0_atom_set(iatom)%rho0_rad_h%r_coef = 0.0_dp
rho0_mp%mp_rho(iatom)%Qlm_tot = 0.0_dp
rho0_mp%mp_rho(iatom)%Qlm_tot(1) = rho0_mp%mp_rho(iatom)%Qlm_z
rho0_mp%mp_rho(iatom)%Q0 = 0.0_dp
rho0_mp%mp_rho(iatom)%Qlm_car = 0.0_dp
ENDDO

IF (.NOT. (.NOT. paw_atom .AND. gapw_control%nopaw_as_gpw)) THEN
Expand Down

0 comments on commit f8f9096

Please sign in to comment.