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Merge branch 'upf_read-norm_conserving_radius' into 'develop' 

Make read_upf_new work with old UPF v2 files

See merge request QEF/q-e!1726
This commit is contained in:
giannozz 2022-01-22 07:19:06 +00:00
parent cef5ed5d8b ad9599edd5
commit d6ed1ba3a2
1 changed files with 6 additions and 0 deletions
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6
upflib/read_upf_new.f90
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@ -362,6 +362,12 @@ CONTAINS
CALL get_attr('cutoff_radius', upf%rcut(nb))
CALL get_attr('ultrasoft_cutoff_radius', upf%rcutus(nb))
!
! Old version of UPF PPs v.2 contained an error in the tag.
! To be able to read the old PPs we need the following
! Copied from read_upf_v2.f90 :: read_upf_nonlocal
IF ( upf%rcutus(nb) .EQ. 0._DP ) &
CALL get_attr('norm_conserving_radius', upf%rcutus(nb))
!
END DO
!
! pp_dij (D_lm matrix)