CMR --- Each CMR project in the table below consists of an ASE-database and a project page describing the data and showing examples of how to work with the data using Python_ and ASE_. Browse the databases by clicking the **[browse]** links below or download the databases and explore them using ASE tools: * :ref:`ase db ` command-line tool * :mod:`ase.db` Python module * :ref:`web-interface ` * WIP: `C2DB-test `__ * WIP: `CMR-test `__ .. `Browse all databases `_ .. _ASE: https://wiki.fysik.dtu.dk/ase/ .. _Python: https://www.python.org/ All CMR databases are licensed under a `Creative Commons Attribution-ShareAlike 4.0 International License `_ |bysa| .. |bysa| image:: https://licensebuttons.net/l/by-sa/4.0/88x31.png :target: https://creativecommons.org/licenses/by-sa/4.0/ :alt: Creative Commons License --------- .. list-table:: :class: frontpage * - .. image:: static/bidb.png :align: center :height: 105px :target: bidb/bidb.html :ref:`bidb` `[browse] `__ - .. image:: static/ads1d.png :align: center :height: 105px :target: ads1d/ads1d.html :ref:`ads1d` `[browse] `__ - .. image:: static/imp2d.png :align: center :height: 105px :target: imp2d/imp2d.html :ref:`imp2d` `[browse] `__ * - .. image:: static/qpod.png :align: center :height: 105px :target: qpod/qpod.html :ref:`qpod` `[browse] `__ - .. image:: static/c1db.png :align: center :height: 105px :target: c1db/c1db.html :ref:`c1db` `[browse] `__ - .. image:: static/c2db.png :align: center :height: 105px :target: c2db/c2db.html :ref:`c2db` `[browse] `__ `[test] `__ * - .. image:: static/abse3.png :align: center :height: 124px :target: abse3/abse3.html :ref:`abse3` `[browse] `__ - .. image:: static/oqmd123.png :align: center :height: 124px :target: oqmd123/oqmd123.html :ref:`oqmd123` `[browse] `__ - .. image:: static/bondmin.png :align: center :height: 124px :target: bondmin/bondmin.html :ref:`bondmin` * - .. image:: static/lowdim.png :align: center :height: 124px :target: lowdim/lowdim.html :ref:`lowdim` `[browse] `__ - .. image:: static/a2bcx4.png :align: center :height: 124px :target: a2bcx4/a2bcx4.html :ref:`a2bcx4` `[browse] `__ - .. image:: static/agau309.png :align: center :height: 124px :target: agau309/agau309.html :ref:`agau309` `[browse] `__ * - .. image:: static/pv_pec_oqmd.png :align: center :height: 124px :target: pv_pec_oqmd/pv_pec_oqmd.html :ref:`pv_pec_oqmd` `[browse] `__ - .. image:: static/abs3.png :align: center :height: 124px :target: abs3/abs3.html :ref:`abs3` `[browse] `__ - .. image:: static/adsorption.png :align: center :height: 124px :target: adsorption/adsorption.html :ref:`adsorption` `[browse] `__ * - .. image:: static/solar.png :align: center :height: 124px :target: solar/solar.html :ref:`solar` `[browse] `__ - .. image:: static/abx2.png :align: center :height: 124px :target: abx2/abx2.html :ref:`abx2` `[browse] `__ - .. image:: static/c2dm.png :align: center :height: 124px :target: c2dm/c2dm.html :ref:`c2dm` * - .. image:: static/vdwh.png :align: center :width: 230px :target: vdwh/vdwh.html :ref:`vdwh` - .. image:: static/organometal.png :align: center :height: 124px :target: organometal/organometal.html :ref:`organometal` `[browse] `__ - .. image:: static/dssc.png :align: center :height: 124px :target: dssc/dssc.html :ref:`dssc` `[browse] `__ * - .. image:: static/mp_gllbsc.png :align: center :height: 124px :target: mp_gllbsc/mp_gllbsc.html :ref:`mp_gllbsc` `[browse] `__ - .. image:: static/cubic_perovskites.png :align: center :height: 124px :target: cubic_perovskites/cubic_perovskites.html :ref:`cubic_perovskites` `[browse] `__ - .. image:: static/low_symmetry_perovskites.png :align: center :height: 124px :target: low_symmetry_perovskites/low_symmetry_perovskites.html :ref:`low_symmetry_perovskites` `[browse] `__ * - .. image:: static/absorption_perovskites.png :align: center :height: 124px :target: absorption_perovskites/absorption_perovskites.html :ref:`absorption_perovskites` `[browse] `__ - .. image:: static/funct_perovskites.png :align: center :height: 124px :target: funct_perovskites/funct_perovskites.html :ref:`funct_perovskites` `[browse] `__ - .. image:: static/beef.png :align: center :height: 124px :target: beef/beef.html :ref:`beef` * - .. image:: static/catapp.png :align: center :height: 124px :target: catapp/catapp.html :ref:`catapp1` `[browse] `__ - .. image:: static/htgw.png :align: center :height: 124px :target: htgw/htgw.html :ref:`htgw` - .. image:: static/oqmd12.png :align: center :height: 124px :target: oqmd12/oqmd12.html :ref:`oqmd12` `[browse] `__ All projects ------------ .. toctree:: :maxdepth: 1 bidb/bidb ads1d/ads1d imp2d/imp2d qpod/qpod c1db/c1db c2db/c2db abse3/abse3 bondmin/bondmin lowdim/lowdim a2bcx4/a2bcx4 agau309/agau309 pv_pec_oqmd/pv_pec_oqmd oqmd123/oqmd123 abs3/abs3 adsorption/adsorption solar/solar abx2/abx2 c2dm/c2dm vdwh/vdwh organometal/organometal dssc/dssc mp_gllbsc/mp_gllbsc cubic_perovskites/cubic_perovskites low_symmetry_perovskites/low_symmetry_perovskites absorption_perovskites/absorption_perovskites funct_perovskites/funct_perovskites beef/beef catapp/catapp htgw/htgw oqmd12/oqmd12 About this web-page ------------------- .. toctree:: searching about server Older databases --------------- .. toctree:: :maxdepth: 1 dcdft/dcdft tmfp06d/tmfp06d fcc111/fcc111 compression/compression gbrv/gbrv g2/g2