Berendsen input documentation
=============================


Specify thermostat parameters.


Used to initialize class :class:`qimpy.dft.geometry.thermostat.Berendsen`.

YAML template:
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.. parsed-literal::

   :yamlparam:`qimpy.dft.geometry.thermostat.Berendsen:B0`: 2.200 GPa  :yamlcomment:`# Characteristic bulk modulus for Berendsen barostat.`

Parameters:
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B0
++

*Type:* :yamltype:`Unit` or :yamltype:`float`, *Default:*  2.200 GPa

Characteristic bulk modulus for Berendsen barostat.
Default value corresponds to water, which should be acceptable for
typical liquid simulations, but maybe too small for most solids.
Make sure to set correct order of magnitude of `B0` in order for
pressure to be equilibrated on the expected `t_damp_P` time scale.