raw_data_inputs_outputs.zip
raw_data_inputs_outputs
EDC_SLAB
figure_from_archive_cuts.py
3.1 kB
figure_from_archive_edc.py
2.9 kB
plot_bulk_slab_projection.py
2.5 kB
plots
slab_spectralfunctions_GK_kz0.0.png
245.5 kB
slab_spectralfunctions_GX_kz0.0.png
299.6 kB
publish_data
MomentumCut_GK_nl10.h5
2.5 MB
MomentumCut_GX_nl10.h5
2.5 MB
edc_GK_nl10_Vin8.0.h5
12.5 kB
edc_GX_nl10_Vin8.0.h5
12.5 kB
slab_spectralfunctions_GK_kz0.0.h5
486.2 kB
slab_spectralfunctions_GX_kz0.0.h5
486.2 kB
EoS
README.txt
742 Bytes
dump-PwBaseWorkChain-15315
.aiida_node_metadata.yaml
1.7 kB
01-create_kpoints_from_distance
.aiida_node_metadata.yaml
1.0 kB
inputs
source_file
1.6 kB
02-iteration_01-PwCalculation
.aiida_node_metadata.yaml
2.7 kB
inputs
.aiida
calcinfo.json
602 Bytes
job_tmpl.json
884 Bytes
_aiidasubmit.sh
185 Bytes
aiida.in
1.4 kB
node_inputs
pseudos
Ge
Ge_ONCV_PBE-1.2.upf
115.5 kB
outputs
_scheduler-stderr.txt
80 Bytes
_scheduler-stdout.txt
0 Bytes
aiida.out
324.0 kB
data-file-schema.xml
730.7 kB
README.md
3.1 kB
dump-PwBaseWorkChain-15326
.aiida_node_metadata.yaml
1.7 kB
01-create_kpoints_from_distance
.aiida_node_metadata.yaml
1.0 kB
inputs
source_file
1.6 kB
02-iteration_01-PwCalculation
.aiida_node_metadata.yaml
2.7 kB
inputs
.aiida
calcinfo.json
602 Bytes
job_tmpl.json
884 Bytes
_aiidasubmit.sh
185 Bytes
aiida.in
1.4 kB
node_inputs
pseudos
Ge
Ge_ONCV_PBE-1.2.upf
115.5 kB
outputs
_scheduler-stderr.txt
80 Bytes
_scheduler-stdout.txt
0 Bytes
aiida.out
323.7 kB
data-file-schema.xml
730.7 kB
README.md
3.1 kB
dump-PwBaseWorkChain-15339
.aiida_node_metadata.yaml
1.7 kB
01-create_kpoints_from_distance
.aiida_node_metadata.yaml
1.0 kB
inputs
source_file
1.6 kB
02-iteration_01-PwCalculation
.aiida_node_metadata.yaml
2.7 kB
inputs
.aiida
calcinfo.json
602 Bytes
job_tmpl.json
884 Bytes
_aiidasubmit.sh
185 Bytes
aiida.in
1.4 kB
node_inputs
pseudos
Ge
Ge_ONCV_PBE-1.2.upf
115.5 kB
outputs
_scheduler-stderr.txt
80 Bytes
_scheduler-stdout.txt
0 Bytes
aiida.out
323.4 kB
data-file-schema.xml
730.7 kB
README.md
3.1 kB
dump-PwBaseWorkChain-15352
.aiida_node_metadata.yaml
1.7 kB
01-create_kpoints_from_distance
.aiida_node_metadata.yaml
1.0 kB
inputs
source_file
1.6 kB
02-iteration_01-PwCalculation
.aiida_node_metadata.yaml
2.7 kB
inputs
.aiida
calcinfo.json
602 Bytes
job_tmpl.json
884 Bytes
_aiidasubmit.sh
185 Bytes
aiida.in
1.4 kB
node_inputs
pseudos
Ge
Ge_ONCV_PBE-1.2.upf
115.5 kB
outputs
_scheduler-stderr.txt
80 Bytes
_scheduler-stdout.txt
0 Bytes
aiida.out
281.0 kB
data-file-schema.xml
630.2 kB
README.md
3.1 kB
dump-PwBaseWorkChain-15363
.aiida_node_metadata.yaml
1.7 kB
01-create_kpoints_from_distance
.aiida_node_metadata.yaml
1.0 kB
inputs
source_file
1.6 kB
02-iteration_01-PwCalculation
.aiida_node_metadata.yaml
2.7 kB
inputs
.aiida
calcinfo.json
602 Bytes
job_tmpl.json
884 Bytes
_aiidasubmit.sh
185 Bytes
aiida.in
1.4 kB
node_inputs
pseudos
Ge
Ge_ONCV_PBE-1.2.upf
115.5 kB
outputs
_scheduler-stderr.txt
80 Bytes
_scheduler-stdout.txt
0 Bytes
aiida.out
280.9 kB
data-file-schema.xml
630.2 kB
README.md
3.1 kB
dump-PwBaseWorkChain-15410
.aiida_node_metadata.yaml
1.7 kB
01-create_kpoints_from_distance
.aiida_node_metadata.yaml
1.0 kB
inputs
source_file
1.6 kB
02-iteration_01-PwCalculation
.aiida_node_metadata.yaml
2.7 kB
inputs
.aiida
calcinfo.json
602 Bytes
job_tmpl.json
884 Bytes
_aiidasubmit.sh
185 Bytes
aiida.in
1.4 kB
node_inputs
pseudos
Ge
Ge_ONCV_PBE-1.2.upf
115.5 kB
outputs
_scheduler-stderr.txt
80 Bytes
_scheduler-stdout.txt
0 Bytes
aiida.out
281.0 kB
data-file-schema.xml
630.2 kB
README.md
3.1 kB
dump-PwBaseWorkChain-15421
.aiida_node_metadata.yaml
1.7 kB
01-create_kpoints_from_distance
.aiida_node_metadata.yaml
1.0 kB
inputs
source_file
1.6 kB
02-iteration_01-PwCalculation
.aiida_node_metadata.yaml
2.7 kB
inputs
.aiida
calcinfo.json
602 Bytes
job_tmpl.json
884 Bytes
_aiidasubmit.sh
185 Bytes
aiida.in
1.4 kB
node_inputs
pseudos
Ge
Ge_ONCV_PBE-1.2.upf
115.5 kB
outputs
_scheduler-stderr.txt
80 Bytes
_scheduler-stdout.txt
0 Bytes
aiida.out
281.0 kB
data-file-schema.xml
630.2 kB
README.md
3.1 kB
dump-PwBaseWorkChain-15434
.aiida_node_metadata.yaml
1.7 kB
01-create_kpoints_from_distance
.aiida_node_metadata.yaml
1.0 kB
inputs
source_file
1.6 kB
02-iteration_01-PwCalculation
.aiida_node_metadata.yaml
2.7 kB
inputs
.aiida
calcinfo.json
602 Bytes
job_tmpl.json
884 Bytes
_aiidasubmit.sh
185 Bytes
aiida.in
1.4 kB
node_inputs
pseudos
Ge
Ge_ONCV_PBE-1.2.upf
115.5 kB
outputs
_scheduler-stderr.txt
80 Bytes
_scheduler-stdout.txt
0 Bytes
aiida.out
281.0 kB
data-file-schema.xml
630.2 kB
README.md
3.1 kB
dump-PwBaseWorkChain-15447
.aiida_node_metadata.yaml
1.7 kB
01-create_kpoints_from_distance
.aiida_node_metadata.yaml
1.0 kB
inputs
source_file
1.6 kB
02-iteration_01-PwCalculation
.aiida_node_metadata.yaml
2.7 kB
inputs
.aiida
calcinfo.json
602 Bytes
job_tmpl.json
884 Bytes
_aiidasubmit.sh
185 Bytes
aiida.in
1.4 kB
node_inputs
pseudos
Ge
Ge_ONCV_PBE-1.2.upf
115.5 kB
outputs
_scheduler-stderr.txt
80 Bytes
_scheduler-stdout.txt
0 Bytes
aiida.out
281.1 kB
data-file-schema.xml
630.2 kB
README.md
3.1 kB
pseudo
Ge_ONCV_PBE_FR-1.0.upf
167.3 kB
strained
DFT
conventional_cell
qe_run.sh
461 Bytes
scf.in
1.1 kB
sscf.out
1.4 MB
scf.in
1.1 kB
scf.out
1.1 MB
wannier_interpolation
job.sh
718 Bytes
opengrid.in
47 Bytes
opengrid.out
140.9 kB
pathGKX
wann_band.dat
4.0 MB
wann_band.gnu
382 Bytes
wann_band.kpt
329.4 kB
wann_band.labelinfo.dat
545 Bytes
pathGX
wann_band.dat
106.2 kB
wann_band.gnu
226 Bytes
wann_band.kpt
8.7 kB
wann_band.labelinfo.dat
327 Bytes
pw2wan.p2wi
140 Bytes
pw2wan.p2wo
32.8 kB
wann.win
141.0 kB
wann.wout
2.0 MB
unstrained
DFT
scf.in
1.1 kB
wannier_interpolation
job.sh
718 Bytes
opengrid.in
47 Bytes
opengrid.out
140.9 kB
pathGKX
wann_band.dat
70.8 kB
wann_band.gnu
226 Bytes
wann_band.kpt
5.8 kB
wann_band.labelinfo.dat
327 Bytes
pathGX
wann_band.dat
106.2 kB
wann_band.gnu
226 Bytes
wann_band.kpt
8.7 kB
wann_band.labelinfo.dat
327 Bytes
pw2wan.p2wi
141 Bytes
pw2wan.p2wo
32.8 kB
wann.win
139.4 kB
wann.wout
376.7 kB