HKUST-1_FHI-aims_Energy_Convergence_Tests.zip
HKUST-1_FHI-aims_Energy_Convergence_Tests
NM
k-grid
1x1x1
aims.out
8.1 MB
control.in
11.8 kB
geometry.in
9.2 kB
geometry.in.next_step
9.5 kB
hessian.aims
1.8 MB
2x2x2
aims.out
14.2 MB
control.in
11.8 kB
geometry.in
10.7 kB
geometry.in.next_step
9.5 kB
hessian.aims
1.8 MB
3x3x3
aims.out
1.7 MB
control.in
11.8 kB
geometry.in
9.2 kB
geometry.in.next_step
9.5 kB
hessian.aims
1.8 MB
4x4x4
aims.out
1.7 MB
control.in
11.8 kB
geometry.in
9.2 kB
geometry.in.next_step
9.5 kB
hessian.aims
1.8 MB
species_defaults
intermediate
aims.out
9.5 MB
control.in
9.7 kB
geometry.in
9.2 kB
geometry.in.next_step
9.5 kB
hessian.aims
1.8 MB
light
aims.out
24.5 MB
control.in
10.3 kB
geometry.in
9.2 kB
geometry.in.next_step
9.5 kB
hessian.aims
1.8 MB
really_tight
aims.out
12.6 MB
control.in
9.4 kB
geometry.in
9.2 kB
geometry.in.next_step
9.5 kB
hessian.aims
1.8 MB
tight
aims.out
14.2 MB
control.in
11.8 kB
geometry.in
10.7 kB
geometry.in.next_step
9.5 kB
hessian.aims
1.8 MB