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Adaptive volume_ratio setting #60

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singularitti opened this issue Sep 7, 2018 · 0 comments
Open

Adaptive volume_ratio setting #60

singularitti opened this issue Sep 7, 2018 · 0 comments
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enhancement New feature or request

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@singularitti
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As a reference, for $P(V)$ data, it is generally not advisable to let $\frac{ V }{ V_0 } < 0.8$, which corresponds to have volume_ratio should not be larger than 1.25 in qha. My opinion is that when fitting, if we find the volume_ratio tends to be larger than 1.25 in the first step, we could let qha use 5th order Birch--Murnghan eos automatically, and print a warnging.

@singularitti singularitti added the enhancement New feature or request label Jun 13, 2019
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