Commit 2a6d868b authored by Robin Hilgers's avatar Robin Hilgers

Merge branch 'develop' of https://iffgit.fz-juelich.de/fleur/fleur into develop

parents 9adc8e94 4e99a813
......@@ -27,8 +27,8 @@ MODULE m_types_input
INTEGER :: coretail_lmax =0
INTEGER :: itmax =9
REAL :: minDistance=1.0e-5
REAL :: minoccDistance !Distances for the density matrix in DFT+Hubbard 1 case
REAL :: minmatDistance
REAL :: minoccDistance=1.0e-2 !Distances for the density matrix in DFT+Hubbard 1 case
REAL :: minmatDistance=1.0e-3
INTEGER :: maxiter=99
INTEGER :: imix=7
INTEGER :: gw=0
......@@ -79,7 +79,7 @@ MODULE m_types_input
INTEGER :: gf_ne
REAL :: gf_ellow
REAL :: gf_elup
INTEGER :: gf_mode
INTEGER :: gf_mode=-1
INTEGER :: gf_n
REAL :: gf_alpha
REAL :: gf_et
......
......@@ -28,7 +28,7 @@ MODULE m_types_greensf
TYPE t_greensf
!Energy contour parameters
INTEGER :: mode !Determines the shape of the contour (more information in kkintgr.f90)
INTEGER :: mode = -1 !Determines the shape of the contour (more information in kkintgr.f90)
INTEGER :: nz !number of points in the contour
INTEGER :: nmatsub
......
......@@ -218,13 +218,13 @@ CONTAINS
ENDDO
ENDDO ! lh
ENDDO ! js
!Rotation to local if needed (Indicated by rotch)
!Makegradients
IF(jspins>2) CALL mkgylm(2, atoms%rmsh(jr, n), thet, nsp, &
ch_tmp, chdr, chdt, chdf, chdrr, chdtt, chdff, chdtf, chdrt, chdrf, grad, kt)
IF(jspins.LE.2)CALL mkgylm(jspins, atoms%rmsh(jr, n), thet, nsp, &
ch_tmp, chdr, chdt, chdf, chdrr, chdtt, chdff, chdtf, chdrt, chdrf, grad, kt)
ENDIF
!Set charge to minimum value
IF (PRESENT(ch)) THEN
WHERE (ABS(ch_tmp(:nsp,:)) < d_15) ch_tmp(:nsp,:) = d_15
......
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