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west-public
West
Commits
adf054d5
Commit
adf054d5
authored
Jan 05, 2018
by
Matteo Gerosa
Browse files
Removed references to div_kind_hf.
parent
0fc46f82
Changes
3
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Inline
Side-by-side
Modules/westcom.f90
View file @
adf054d5
...
...
@@ -168,7 +168,6 @@ MODULE wfreq_center
REAL
(
DP
),
ALLOCATABLE
::
imfreq_list
(:)
REAL
(
DP
),
ALLOCATABLE
::
imfreq_list_integrate
(:,:)
REAL
(
DP
),
PARAMETER
::
frequency_list_power
=
2._DP
INTEGER
::
div_kind_hf
! 1=spherical region, 2=GB, 3=cut_ws
!
! gw_etot
!
...
...
Tools/fetch_input.f90
View file @
adf054d5
...
...
@@ -93,7 +93,6 @@ SUBROUTINE fetch_input( num_drivers, driver, verbose )
trev_secant
=
0.003675_DP
l_enable_lanczos
=
.TRUE.
l_enable_gwetot
=
.FALSE.
div_kind_hf
=
2
o_restart_time
=
0._DP
ecut_spectralf
=
(/
-2._DP
,
2._DP
/)
n_spectralf
=
10
...
...
@@ -189,8 +188,6 @@ SUBROUTINE fetch_input( num_drivers, driver, verbose )
IF
(
found
)
l_enable_lanczos
=
lval
CALL
json
%
get
(
'wfreq_control.l_enable_gwetot'
,
lval
,
found
)
IF
(
found
)
l_enable_gwetot
=
lval
CALL
json
%
get
(
'wfreq_control.div_kind_hf'
,
ival
,
found
)
IF
(
found
)
div_kind_hf
=
ival
CALL
json
%
get
(
'wfreq_control.o_restart_time'
,
rval
,
found
)
IF
(
found
)
o_restart_time
=
rval
CALL
json
%
get
(
'wfreq_control.ecut_spectralf'
,
rvec
,
found
)
...
...
@@ -297,7 +294,6 @@ SUBROUTINE fetch_input( num_drivers, driver, verbose )
CALL
mp_bcast
(
trev_secant
,
root
,
world_comm
)
CALL
mp_bcast
(
l_enable_lanczos
,
root
,
world_comm
)
CALL
mp_bcast
(
l_enable_gwetot
,
root
,
world_comm
)
CALL
mp_bcast
(
div_kind_hf
,
root
,
world_comm
)
CALL
mp_bcast
(
o_restart_time
,
root
,
world_comm
)
CALL
mp_bcast
(
ecut_spectralf
,
root
,
world_comm
)
CALL
mp_bcast
(
n_spectralf
,
root
,
world_comm
)
...
...
@@ -419,7 +415,6 @@ SUBROUTINE fetch_input( num_drivers, driver, verbose )
CALL
io_push_value
(
'trev_secant [Ry]'
,
trev_secant
,
numsp
)
CALL
io_push_value
(
'l_enable_lanczos'
,
l_enable_lanczos
,
numsp
)
CALL
io_push_value
(
'l_enable_gwetot'
,
l_enable_gwetot
,
numsp
)
CALL
io_push_value
(
'div_kind_hf'
,
div_kind_hf
,
numsp
)
CALL
io_push_value
(
'o_restart_time [min]'
,
o_restart_time
,
numsp
)
CALL
io_push_value
(
'ecut_spectralf(1) [Ry]'
,
ecut_spectralf
(
1
),
numsp
)
CALL
io_push_value
(
'ecut_spectralf(2) [Ry]'
,
ecut_spectralf
(
2
),
numsp
)
...
...
@@ -539,7 +534,6 @@ SUBROUTINE add_intput_parameters_to_json_file( num_drivers, driver, json )
CALL
json
%
add
(
'input.wfreq_control.trev_secant'
,
trev_secant
)
CALL
json
%
add
(
'input.wfreq_control.l_enable_lanczos'
,
l_enable_lanczos
)
CALL
json
%
add
(
'input.wfreq_control.l_enable_gwetot'
,
l_enable_gwetot
)
CALL
json
%
add
(
'input.wfreq_control.div_kind_hf'
,
div_kind_hf
)
CALL
json
%
add
(
'input.wfreq_control.o_restart_time'
,
o_restart_time
)
CALL
json
%
add
(
'input.wfreq_control.ecut_spectralf'
,
ecut_spectralf
)
CALL
json
%
add
(
'input.wfreq_control.n_spectralf'
,
n_spectralf
)
...
...
Wfreq/calc_exx2.f90
View file @
adf054d5
...
...
@@ -33,7 +33,7 @@ SUBROUTINE calc_exx2_gamma( sigma_exx, nb1, nb2 )
USE
fft_at_gamma
,
ONLY
:
single_invfft_gamma
,
single_fwfft_gamma
USE
fft_at_k
,
ONLY
:
single_invfft_k
,
single_fwfft_k
USE
wavefunctions_module
,
ONLY
:
evc
,
psic
,
psic_nc
USE
westcom
,
ONLY
:
iuwfc
,
lrwfc
,
npwq
,
nbnd_occ
,
div_kind_hf
USE
westcom
,
ONLY
:
iuwfc
,
lrwfc
,
npwq
,
nbnd_occ
USE
control_flags
,
ONLY
:
gamma_only
USE
noncollin_module
,
ONLY
:
noncolin
,
npol
USE
buffers
,
ONLY
:
get_buffer
...
...
@@ -350,8 +350,6 @@ SUBROUTINE calc_exx2_k( sigma_exx, nb1, nb2 )
ENDIF
!
DO
iq
=
1
,
q_grid
%
np
!
! if not set from input, div_kind_hf = 2 (Gygi-Baldereschi)
!
l_gammaq
=
q_grid
%
l_pIsGamma
(
iq
)
!
...
...
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