Commit 75d7b0a0 authored by Frank Freimuth's avatar Frank Freimuth

Update wann_read_inp.f90

parent 94c7e194
...@@ -27,6 +27,7 @@ subroutine wann_read_inp(input,l_p0,wann) ...@@ -27,6 +27,7 @@ subroutine wann_read_inp(input,l_p0,wann)
real :: version_real real :: version_real
!-----some defaults !-----some defaults
wann%l_perpmagatlres=.false.
wann%l_atomlist=.false. wann%l_atomlist=.false.
wann%l_ndegen=.false. wann%l_ndegen=.false.
wann%l_orbitalmom=.false. wann%l_orbitalmom=.false.
...@@ -253,6 +254,15 @@ subroutine wann_read_inp(input,l_p0,wann) ...@@ -253,6 +254,15 @@ subroutine wann_read_inp(input,l_p0,wann)
wann%l_hsomtx_to_hsoc=.true. wann%l_hsomtx_to_hsoc=.true.
elseif(trim(task).eq.'hsomtx_unf_to_hsoc')then elseif(trim(task).eq.'hsomtx_unf_to_hsoc')then
wann%l_hsomtx_unf_to_hsoc=.true. wann%l_hsomtx_unf_to_hsoc=.true.
elseif(trim(task).eq.'perpmagatlres')then
wann%l_perpmagatlres=.true.
backspace(916)
read(916,*,iostat=ios)task,wann%perpmagl
if (ios /= 0) &
CALL juDFT_error ("error reading perpmagl", &
calledby="wann_read_inp")
elseif(trim(task).eq.'socmat')then elseif(trim(task).eq.'socmat')then
wann%l_socmat=.true. wann%l_socmat=.true.
elseif(trim(task).eq.'socmatvec')then elseif(trim(task).eq.'socmatvec')then
...@@ -528,6 +538,15 @@ subroutine wann_read_inp(input,l_p0,wann) ...@@ -528,6 +538,15 @@ subroutine wann_read_inp(input,l_p0,wann)
wann%l_hsomtx_to_hsoc=.true. wann%l_hsomtx_to_hsoc=.true.
elseif(trim(task).eq.'hsomtx_unf_to_hsoc')then elseif(trim(task).eq.'hsomtx_unf_to_hsoc')then
wann%l_hsomtx_unf_to_hsoc=.true. wann%l_hsomtx_unf_to_hsoc=.true.
elseif(trim(task).eq.'perpmagatlres')then
wann%l_perpmagatlres=.true.
backspace(916)
read(916,*,iostat=ios)task,wann%perpmagl
if (ios /= 0) &
CALL juDFT_error ("error reading perpmagl", &
calledby="wann_read_inp")
elseif(trim(task).eq.'socmat')then elseif(trim(task).eq.'socmat')then
wann%l_socmat=.true. wann%l_socmat=.true.
elseif(trim(task).eq.'socmatvec')then elseif(trim(task).eq.'socmatvec')then
......
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