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🐛 protocols: Delete metadata for EpwBaseWorkChains #21

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Merged
ymzhang0 merged 1 commit into from
Jan 15, 2026
Merged

🐛 protocols: Delete metadata for EpwBaseWorkChains #21

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5 changes: 2 additions & 3 deletions src/aiida_epw/workflows/protocols/base.yaml
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Original file line number Diff line number Diff line change
Expand Up @@ -3,9 +3,8 @@ default_inputs:
max_iterations: 5
qfpoints_distance: 0.1
kfpoints_factor: 2
metadata:
options:
withmpi: True
options:
withmpi: True
parameters:
INPUTEPW:
degaussw: 0.04
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35 changes: 17 additions & 18 deletions src/aiida_epw/workflows/protocols/prep.yaml
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Expand Up @@ -25,24 +25,23 @@ default_inputs:
settings:
PREPARE_FOR_EPW: True
epw_base:
metadata:
options:
resources:
num_machines: 1
max_wallclock_seconds: 43200 # Twelve hours
withmpi: True
stash:
source_list:
- crystal.fmt
- dmedata.fmt
- epwdata.fmt
- selecq.fmt
- vmedata.fmt
- aiida.kgmap
- aiida.kmap
- aiida.ukk
- out/aiida.epmatwp
- save
options:
resources:
num_machines: 1
max_wallclock_seconds: 43200 # Twelve hours
withmpi: True
stash:
source_list:
- crystal.fmt
- dmedata.fmt
- epwdata.fmt
- selecq.fmt
- vmedata.fmt
- aiida.kgmap
- aiida.kmap
- aiida.ukk
- out/aiida.epmatwp
- save
parameters:
INPUTEPW:
a2f: False
Expand Down
33 changes: 15 additions & 18 deletions src/aiida_epw/workflows/protocols/supercon.yaml
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Expand Up @@ -13,12 +13,11 @@ default_inputs:
convergence_threshold: 0.5
always_run_final: True
epw_interp:
metadata:
options:
resources:
num_machines: 1
max_wallclock_seconds: 43200 # Twelve hours
withmpi: True
options:
resources:
num_machines: 1
max_wallclock_seconds: 43200 # Twelve hours
withmpi: True
parameters:
INPUTEPW:
broyden_beta: 0.4
Expand Down Expand Up @@ -52,12 +51,11 @@ default_inputs:
wannierize: False
wscut: 0.5
epw_final_iso:
metadata:
options:
resources:
num_machines: 1
max_wallclock_seconds: 43200 # Twelve hours
withmpi: True
options:
resources:
num_machines: 1
max_wallclock_seconds: 43200 # Twelve hours
withmpi: True
parameters:
INPUTEPW:
conv_thr_iaxis: 0.01
Expand Down Expand Up @@ -91,12 +89,11 @@ default_inputs:
wannierize: False
wscut: 0.5
epw_final_aniso:
metadata:
options:
resources:
num_machines: 1
max_wallclock_seconds: 43200 # Twelve hours
withmpi: True
options:
resources:
num_machines: 1
max_wallclock_seconds: 43200 # Twelve hours
withmpi: True
parameters:
INPUTEPW:
conv_thr_iaxis: 0.01
Expand Down