| SYSTEM | Features | Keywords | Input | Output | Tutorial |
| Covalent systems | Fullerene crystal | TESTGEOM | buck.d12 | buck.out | Basic tutorials "Geometry" |
| Covalent systems | Fullerene crystal with inclusion of He atoms | TESTGEOM | buck_he.d12 | buck_he.out | Basic tutorials "Geometry" |
| Covalent systems | Diamond crystal | TESTGEOM | diamond.d12 | diamond.out | Basic tutorials "Geometry" |
| Covalent systems | Diamond - from 3D to 2D - (100) slab - 9 atomic | TESTGEOM | diam_100a.d12 | diam_100a.out | Basic tutorials "Geometry" |
| Covalent systems | Diamond - from 3D to 2D - (100) slab - 10 atomic | TESTGEOM | diam_100b.d12 | diam_100b.out | Basic tutorials "Geometry" |
| Covalent systems | Slab (2D) parallel to (100) plane - 9 atomic layers | TESTGEOM | diam_sl100a.d12 | diam_sl100a.out | Basic tutorials "Geometry" |
| Covalent systems | Slab (2D) parallel to (100) plane - 10 atomic layers | TESTGEOM | diam_sl100b.d12 | diam_sl100b.out | Basic tutorials "Geometry" |
| Covalent systems | Graphite crystal - hexagonal form | TESTGEOM | gra_hexa.d12 | gra_hexa.out | Basic tutorials "Geometry" |
| Covalent systems | Graphite crystal - rhombohedral form | TESTGEOM | gra_rhom.d12 | gra_rhom.out | Basic tutorials "Geometry" |
| Covalent systems | Graphite crystal - hexagonal form - from 3D to 2D - (001) monolayer | TESTGEOM | gra_h001.d12 | gra_h001.out | Basic tutorials "Geometry" |
| Covalent systems | Graphite 2D monolayer | TESTGEOM | gra_ml.d12 | gra_ml.out | Basic tutorials "Geometry" |
| Ionic and semi-ionic systems | Alumina- hexagonal form | TESTGEOM | al2o3_h.d12 | al2o3_h.out | Basic tutorials "Geometry" |
| Ionic and semi-ionic systems | Alumina- rhombohedral form | TESTGEOM | al2o3_r.d12 | al2o3_r.out | Basic tutorials "Geometry" |
| Ionic and semi-ionic systems | Alumina- hexagonal form - (001) slab - 6 atomic layers | TESTGEOM | al2o3_001.d12 | al2o3_001.out | Basic tutorials "Geometry" |
| Ionic and semi-ionic systems | Alumina- hexagonal form - (110) slab - 10 atomic layers | TESTGEOM | al2o3_110.d12 | al2o3_110.out | Basic tutorials "Geometry" |
| Ionic and semi-ionic systems | Slab parallel to (001) plane - 6 atomic layers | TESTGEOM | al2o3_sl001.d12 | al2o3_sl001.out | Basic tutorials "Geometry" |
| Ionic and semi-ionic systems | Slab parallel to (110) plane - 10 atomic layers | TESTGEOM | al2o3_sl110.d12 | al2o3_sl110.out | Basic tutorials "Geometry" |
| Ionic and semi-ionic systems | MgO bulk | TESTGEOM | mgo_bulk.d12 | mgo_bulk.out | Basic tutorials "Geometry" |
| Ionic and semi-ionic systems | MgO bulk - use of ROTATE keyword - (100) plane | TESTGEOM | mgo_rot100.d12 | mgo_rot100.out | Basic tutorials "Geometry" |
| Ionic and semi-ionic systems | MgO bulk - (100) slab - 3 atomic layers | TESTGEOM | mgo_100.d12 | mgo_100.out | Basic tutorials "Geometry" |
| Ionic and semi-ionic systems | MgO bulk - (103) slab - 5 atomic layers | TESTGEOM | mgo_103.d12 | mgo_103.out | Basic tutorials "Geometry" |
| Ionic and semi-ionic systems | MgO bulk - (110) slab - 3 atomic layers | TESTGEOM | mgo_110.d12 | mgo_110.out | Basic tutorials "Geometry" |
| Ionic and semi-ionic systems | MgO bulk - (111) slab - 4 atomic layers starting from | TESTGEOM | mgo_111.d12 | mgo_111.out | Basic tutorials "Geometry" |
| Ionic and semi-ionic systems | Slab parallel to (110) plane - 2 atomic layers | TESTGEOM | mgo_sl110a.d12 | mgo_sl110a.out | Basic tutorials "Geometry" |
| Ionic and semi-ionic systems | Slab parallel to (110) plane - 3 atomic layers | TESTGEOM | mgo_sl110b.d12 | mgo_sl110b.out | Basic tutorials "Geometry" |
| Ionic and semi-ionic systems | Step of MgO on a MgO (100) monolayer | TESTGEOM | mgo_100ad.d12 | mgo_100ad.out | Basic tutorials "Geometry" |
| Ionic and semi-ionic systems | Adsorption of CO on a MgO (100) monolayer | TESTGEOM | mgo_100co.d12 | mgo_100co.out | Basic tutorials "Geometry" |
| Ionic and semi-ionic systems | MgO(100)/CO - use of ATOMROT | TESTGEOM | mgo_co_ar.d12 | mgo_co_ar.out | Basic tutorials "Geometry" |
| Ionic and semi-ionic systems | Li defect in MgO (100) slab - 3 atomic layers | TESTGEOM | mgo_100li.d12 | mgo_100li.out | Basic tutorials "Geometry" |
| Ionic and semi-ionic systems | MgO bulk - 8 atoms super cell | TESTGEOM | mgo_sc8.d12 | mgo_sc8.out | Basic tutorials "Geometry" |
| Ionic and semi-ionic systems | H defect in MgO bulk - 8 atoms super cell | TESTGEOM | mgo_sc8x4h.d12 | mgo_sc8x4h.out | Basic tutorials "Geometry" |
| Ionic and semi-ionic systems | MgO bulk - 16 atoms supercell | TESTGEOM | mgo_sc16.d12 | mgo_sc16.out | Basic tutorials "Geometry" |
| Ionic and semi-ionic systems | Ca substitution in MgO bulk - 8 atoms super cell | TESTGEOM | mgo_sc16ca.d12 | mgo_sc16ca.out | Basic tutorials "Geometry" |
| Ionic and semi-ionic systems | MgO bulk - 32 atoms super cell | TESTGEOM | mgo_sc32.d12 | mgo_sc32.out | Basic tutorials "Geometry" |
| Ionic and semi-ionic systems | H defect in MgO bulk - 32 atoms super cell | TESTGEOM | mgo_sc32h.d12 | mgo_sc32h.out | Basic tutorials "Geometry" |
| Ionic and semi-ionic systems | MgO bulk - 64 atoms super cell | TESTGEOM | mgo_sc64.d12 | mgo_sc64.out | Basic tutorials "Geometry" |
| Ionic and semi-ionic systems | MgO bulk - 128 atoms super cell | TESTGEOM | mgo_sc128.d12 | mgo_sc128.out | Basic tutorials "Geometry" |
| Ionic and semi-ionic systems | Alpha-Quartz bulk - space group: 152 | TESTGEOM | aqua_1.d12 | aqua_1.out | Basic tutorials "Geometry" |
| Ionic and semi-ionic systems | Alpha-Quartz bulk - origin translation (space group: 154) | TESTGEOM | aqua_2.d12 | aqua_2.out | Basic tutorials "Geometry" |
| Ionic and semi-ionic systems | Beta-Quartz crystal structure | TESTGEOM | bqua.d12 | bqua.out | Basic tutorials "Geometry" |
| Ionic and semi-ionic systems | Idealized Beta-Cristobalite crystal structure | TESTGEOM | bcri.d12 | bcri.out | Basic tutorials "Geometry" |
| Ionic and semi-ionic systems | Stishovite bulk | TESTGEOM | sti.d12 | sti.out | Basic tutorials "Geometry" |
| Ionic and semi-ionic systems | TiO2- rutile | TESTGEOM | tio2.d12 | tio2.out | Basic tutorials "Geometry" |
| Minerals | Beryl crystal structure | TESTGEOM | beryl.d12 | beryl.out | Basic tutorials "Geometry" |
| Minerals | Mica (Muscovite) structure | TESTGEOM | mica.d12 | mica.out | Basic tutorials "Geometry" |
| Minerals | Example of perovskite structure - CaTiO3 | TESTGEOM | perov.d12 | perov.out | Basic tutorials "Geometry" |
| Minerals | Example of spinel structure - MgAl2O4 | TESTGEOM | spinel.d12 | spinel.out | Basic tutorials "Geometry" |
| Molecular crystals | Hydrogen peroxide crystal structure | TESTGEOM | h2o2.d12 | h2o2.out | Basic tutorials "Geometry" |
| Molecular crystals | NI3NH3 adduct crystal structure | TESTGEOM | ni3nh3.d12 | ni3nh3.out | Basic tutorials "Geometry" |
| Molecular crystals | SN polymer crystalline structure | TESTGEOM | sn_bulk.d12 | sn_bulk.out | Basic tutorials "Geometry" |
| Molecular crystals | XeF2 crystal structure | TESTGEOM | xef2.d12 | xef2.out | Basic tutorials "Geometry" |
| Molecular crystals | Cubane crystal structure | TESTGEOM | cubane.d12 | cubane.out | Basic tutorials "Geometry" |
| Molecular crystals | Formamide crystal structure | TESTGEOM | forma.d12 | forma.out | Basic tutorials "Geometry" |
| Molecular crystals | Oxalicacid bi-hydrated crystal structure - extraction of 4 molecules | TESTGEOM | ossal.d12 | ossal.out | Basic tutorials "Geometry" |
| Molecular crystals | Poly-ethylene-adipatecrystalline structure | TESTGEOM | pea_bulk.d12 | pea_bulk.out | Basic tutorials "Geometry" |
| Molecular crystals | C-ice | TESTGEOM | cice.d12 | cice.out | Basic tutorials "Geometry" |
| Molecular crystals | C-ice - (001) slab - 10 atomic layers - chair conformation | TESTGEOM | cice_001.d12 | cice_001.out | Basic tutorials "Geometry" |
| Molecular crystals | C-ice - (010) slab - molecular bilayer - boat conformation | TESTGEOM | cice_010bl.d12 | cice_010bl.out | Basic tutorials "Geometry" |
| Molecular crystals | C-ice - (010) slab - molecular monolayer - boat conformation | TESTGEOM | cice_010ml.d12 | cice_010ml.out | Basic tutorials "Geometry" |
| Molecular crystals | P-ice | TESTGEOM | pice.d12 | pice.out | Basic tutorials "Geometry" |
| Molecular crystals | P-ice - (010) slab - molecular bilayer - boat conformation | TESTGEOM | pice_010bl.d12 | pice_010bl.out | Basic tutorials "Geometry" |
| Molecular crystals | P-ice - (010) slab - molecular monolayer - boat conformation | TESTGEOM | pice_010ml.d12 | pice_010ml.out | Basic tutorials "Geometry" |
| Molecular crystals | P-ice - (100) slab - 16 atomic layers - chair conformation | TESTGEOM | pice_100.d12 | pice_100.out | Basic tutorials "Geometry" |
| Molecular crystals | Urea crystal structure | TESTGEOM | urea_bulk.d12 | urea_bulk.out | Basic tutorials "Geometry" |
| Molecular crystals | Urea crystal structure - use of MOLEXP | TESTGEOM | urea_molexp.d12 | urea_molexp.out | Basic tutorials "Geometry" |
| Molecular crystals | Urea crystal structure - extraction of one molecule | TESTGEOM | urea_0d.d12 | urea_0d.out | Basic tutorials "Geometry" |
| Molecular crystals | Urea molecular input | TESTGEOM | urea_mol.d12 | urea_mol.out | Basic tutorials "Geometry" |
| Molecular crystals | Urea crystal structure - extraction of a molecular fragment | TESTGEOM | urea_frag.d12 | urea_frag.out | Basic tutorials "Geometry" |
| Polymers | Water polymer | TESTGEOM | wl.d12 | wl.out | Basic tutorials "Geometry" |
| Polymers | Formamide chain | TESTGEOM | forma_poly.d12 | forma_poly.out | Basic tutorials "Geometry" |
| Polymers | SN polymer | TESTGEOM | sn_polym.d12 | sn_polym.out | Basic tutorials "Geometry" |
| Zeolite structures | Siliceous Edingtonite (EDI) - high symmetry structure | TESTGEOM | edi.d12 | edi.out | Basic tutorials "Geometry" |
| Zeolite structures | Siliceous Edingtonite (EDI) - low symmetry structure | TESTGEOM | edi_low.d12 | edi_low.out | Basic tutorials "Geometry" |
| Zeolite structures | EDI(Si) - (100) slab - silica hydroxylated surface model (I) | TESTGEOM | edislab.d12 | edislab.out | Basic tutorials "Geometry" |
| Zeolite structures | EDI(Si) - (100) slab - silica hydroxylated surface model (II) | TESTGEOM | edislab2.d12 | edislab2.out | Basic tutorials "Geometry" |
| Zeolite structures | EDI(Si) - (100) slab - model (II) - adsorption of ammonia | TESTGEOM | edislnh3.d12 | edislnh3.out | Basic tutorials "Geometry" |
| Zeolite structures | H-EDI - acidic zeolite model (I) | TESTGEOM | hedi1.d12 | hedi1.out | Basic tutorials "Geometry" |
| Zeolite structures | H-EDI - acidic zeolite model (II) | TESTGEOM | hedi2.d12 | hedi2.out | Basic tutorials "Geometry" |
| Zeolite structures | H-EDI - acidic zeolite model (III) | TESTGEOM | hedi3.d12 | hedi3.out | Basic tutorials "Geometry" |
| Zeolite structures | H-EDI - acidic zeolite model (II) - adsorption of acetylene | TESTGEOM | hedi2ace.d12 | hedi2ace.out | Basic tutorials "Geometry" |
| Zeolite structures | Siliceous Chabazite (CHA) | TESTGEOM | cha.d12 | cha.out | Basic tutorials "Geometry" |
| Zeolite structures | H-CHA with Si:Al = 3:1 | TESTGEOM | hcha31.d12 | hcha31.out | Basic tutorials "Geometry" |
| Zeolite structures | Siliceous Faujasite | TESTGEOM | fau.d12 | fau.out | Basic tutorials "Geometry" |
| Zeolite structures | Siliceous Sodalite | TESTGEOM | sod.d12 | sod.out | Basic tutorials "Geometry" |