| /dports/science/py-ase/ase-3.22.0/ase/test/build_/ |
| H A D | test_surface_terminations.py | 10 rutile = crystal(['Ti', 'O'], basis=[(0, 0, 0), (0.3, 0.3, 0.0)],
13 slb = surface(rutile, indices=(1, 1, 0), layers=4, vacuum=10)
23 images = surfaces_with_termination(rutile,
31 images = surfaces_with_termination(rutile,
|
| /dports/science/py-spglib/spglib-1.16.2/python/examples/ |
| H A D | example.py | 87 rutile = ([(4, 0, 0), variable
136 print(" Spacegroup of Rutile is %s." % spglib.get_spacegroup(rutile))
144 symmetry = spglib.get_symmetry(rutile)
158 dataset = spglib.get_symmetry_dataset( rutile )
276 rutile,
|
| /dports/science/octopus/octopus-10.5/external_libs/spglib-1.9.9/python/examples/ |
| H A D | example.py | 87 rutile = ([(4, 0, 0), variable
136 print(" Spacegroup of Rutile is %s." % spglib.get_spacegroup(rutile))
144 symmetry = spglib.get_symmetry(rutile)
158 dataset = spglib.get_symmetry_dataset( rutile )
276 rutile,
|
| /dports/science/spglib/spglib-1.16.2/python/examples/ |
| H A D | example.py | 87 rutile = ([(4, 0, 0), variable
136 print(" Spacegroup of Rutile is %s." % spglib.get_spacegroup(rutile))
144 symmetry = spglib.get_symmetry(rutile)
158 dataset = spglib.get_symmetry_dataset( rutile )
276 rutile,
|
| /dports/science/py-avogadrolibs/avogadrolibs-1.94.0/docs/api/ |
| H A D | rpc.rst | 48 { "fileName" : "rutile.POSCAR" }
67 …{ "content" : "TiO2 rutile\n1.00000000\n2.95812000 0.00000000 0.00000000\n0.00000000 4.59373…
|
| /dports/science/avogadrolibs/avogadrolibs-1.94.0/docs/api/ |
| H A D | rpc.rst | 48 { "fileName" : "rutile.POSCAR" }
67 …{ "content" : "TiO2 rutile\n1.00000000\n2.95812000 0.00000000 0.00000000\n0.00000000 4.59373…
|
| /dports/science/xcrysden/xcrysden-1.6.2/examples/CRYSTALxx_input_files/ |
| H A D | rutile.r1 | 1 rutile
|
| /dports/science/xcrysden/xcrysden-1.6.2/examples/PWSCF_files/lattices.d/ |
| H A D | crystal_sg.in | 3 prefix = 'rutile'
|
| /dports/science/mcstas-comps/mcstas-comps-2.5-src/data/ |
| H A D | TiO2_rutile.lau | 1 # rutile (TiO2): 'P 42/m n m' (136) tetragonal
|
| /dports/science/py-phonopy/phonopy-2.11.0/example/SnO2/ |
| H A D | README | 1 SnO2 rutile structure. Forces were calcualted using VASP with 500 eV cutoff energy and 4x4x6 k-poin…
|
| /dports/science/phonopy/phonopy-2.11.0/example/SnO2/ |
| H A D | README | 1 SnO2 rutile structure. Forces were calcualted using VASP with 500 eV cutoff energy and 4x4x6 k-poin…
|
| /dports/science/avogadrolibs/crystals/halides/ |
| H A D | CrCl2.cif | 26 Note: distorted rutile structure
|
| /dports/science/avogadrolibs/crystals/oxides/ |
| H A D | MnO2-Pyrolusite.cif | 26 Note: beta phase of MnO2, rutile structure
|
| /dports/science/phonopy/phonopy-2.11.0/doc/ |
| H A D | citation.rst | 62 rutile-type and CaCl2-type SiO2 at high pressures",
|
| H A D | input-files.rst | 66 Example of rutile-type silicon oxide crystal structure (VASP 4 style)
84 Example of rutile-type silicon oxide crystal structure (VASP 5 style)
|
| H A D | vasp.rst | 153 this rutile-type SiO2 has the primitive lattice, it is unnecessary to
|
| /dports/science/xcrysden/xcrysden-1.6.2/examples/ |
| H A D | README | 39 rutile.r1
|
| /dports/textproc/tn-hunspell/dictionaries/ |
| H A D | tn-ZA.dic | 10223 rutile
|
| /dports/sysutils/heirloom/heirloom-070715/spell/ |
| H A D | list | 19555 rutile
|
| /dports/devel/plan9port/plan9port-1f098efb7370a0b28306d10681e21883fb1c1507/lib/ |
| H A D | words | 23056 rutile
|
| /dports/x11/xvkbd/xvkbd-4.1/ |
| H A D | words.english | 29787 rutile 0.772011
|
| /dports/mail/thunderbird-dictionaries/dictionaries/spell-ia.xpi/ |
| H A D | ia.dic | 22080 rutile/A
|
| /dports/security/cracklib/cracklib-2.9.7/dicts/ |
| H A D | cracklib-small | 42579 rutile
|
| /dports/japanese/skk-jisyo/ja-skk-jisyo-201409/ |
| H A D | SKK-JISYO.L.201409 | 37824 rutile /�����/
|
| /dports/japanese/skk-jisyo-cdb/ja-skk-jisyo-cdb-201409/ |
| H A D | SKK-JISYO.L.201409 | 37824 rutile /�����/
|