HKUST-1_FHI-aims_Geometry_Optimizations.zip
HKUST-1_FHI-aims_Geometry_Optimization
AFM
PBE0_tight_MBD
aims.out
47.7 MB
control.in
9.8 kB
geometry.in
11.1 kB
geometry.in.next_step
9.5 kB
hessian.aims
1.8 MB
PBE_tight_MBD
aims.out
16.7 MB
control.in
11.9 kB
geometry.in
9.5 kB
geometry.in.next_step
9.5 kB
hessian.aims
1.8 MB
FM
PBE0_tight_MBD
aims.out
35.4 MB
control.in
9.8 kB
geometry.in
11.1 kB
geometry.in.next_step
9.5 kB
hessian.aims
1.8 MB
PBE_tight_MBD
aims.out
21.2 MB
control.in
11.9 kB
geometry.in
11.1 kB
geometry.in.next_step
9.5 kB
hessian.aims
1.8 MB
NM
PBE0_tight_MBD
aims.out
32.0 MB
control.in
9.7 kB
geometry.in
10.7 kB
geometry.in.next_step
9.5 kB
hessian.aims
1.8 MB
PBE_tight_MBD
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