.. _bulk_tests:

==============
Bulk tests
==============

**Warning**: this page is outdated.
For performance of GPAW for bulk systems please refer to :ref:`dcdft`.

Lattice constants (*a*) in Å and bulk moduli (*B*) in GPa calculated
using PBE functional in GPAW revision 2041.

.. csv-table::
   :file: bulk_tests.csv
   :header: compound, structure, GPAW *a*, ref. *a*, error [%], GPAW *B*, ref. *B*, error [%]

References
==========
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                       `<http://www.ingentaconnect.com/content/iop/jphyscm/2001/00000013/00000042/art00307>`_

.. [02]

"Georg Madsen - private communication

.. [03]

Performance on molecules, surfaces, and solids of the Wu-Cohen GGA exchange-correlation energy functional" Fabien Tran, Robert Laskowski, Peter Blaha, and Karlheinz Schwarz, Phys. Rev. B, 75, 115131 (2007)
                       `<http://dx.doi.org/10.1103/PhysRevB.75.115131>`_

.. [04]

Screened hybrid density functionals applied to solids",
                       J. Paier, M. Marsman, K. Hummer, G. Kresse, I. C. Gerber,
                       J. G. Ángyán, J. Chem. Phys. 124, 154709 (2006)
                       `<http://dx.doi.org/10.1063/1.2187006>`_

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Molecular and Solid-State Tests of Density Functional
                       Approximations: LSD, GGAs, and Meta-GGAs", S. Kurth,
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                       `<http://dx.doi.org/10.1002/(SICI)1097-461X(1999)75:4/5%3C889::AID-QUA54%3E3.0.CO;2-8>`_

.. [06]

"`<http://dx.doi.org/10.1103/PhysRevB.75.205123>`_

.. [07]

"`<http://dx.doi.org/10.1016/j.susc.2005.12.008>`_

.. [08]

First-principles study of low-index surfaces of lead
                       "D. Yu and M. Scheffler, Phys. Rev. B 70, 155417 (2004)
                       `<http://dx.doi.org/10.1103/PhysRevB.70.155417>`_

.. [09]

"`<http://dx.doi.org/10.1063/1.2121547>`_

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"http://www.pwscf.org/pseudo/1.3/html/Cs.html

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"`<http://dx.doi.org/10.1103/PhysRevB.65.184432>`_

