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FIX: BEEF-vdW inconsistent spinpol handling.

This commit is contained in:
gusmaogabriels 2021-02-06 01:30:55 -05:00
parent cfd77d5b04
commit c8d364fcbc
1 changed files with 2 additions and 2 deletions
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4
XClib/qe_drivers_gga.f90
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@ -763,8 +763,8 @@ SUBROUTINE gcx_spin( length, rho_in, grho2_in, sx_tot, v1x_out, v2x_out )
rho = 2.0_DP * rho
grho2 = 4.0_DP * grho2
!
CALL beefx(2.0_DP*rho(1), 4.0_DP*grho2(1), sx(1), v1x(1), v2x(1), 0)
CALL beefx(2.0_DP*rho(2), 4.0_DP*grho2(2), sx(2), v1x(2), v2x(2), 0)
CALL beefx(rho(1), grho2(1), sx(1), v1x(1), v2x(1), 0)
CALL beefx(rho(2), grho2(2), sx(2), v1x(2), v2x(2), 0)
!
sx_tot(ir) = 0.5_DP * (sx(1)*rnull(1) + sx(2)*rnull(2))
v2x = 2.0_DP * v2x