arguments of the function "PotentialExpandedOnClm"

asked by Philipp Hansmann (2017/12/15 15:39)

Dear Developers, Is there a documentation for the function “PotentialExpandedOnClm” where the parametrization of the implemented point groups is defined. E.g. how can I know that in the cubic case “PotentialExpandedOnClm(“Oh”, 2, {0.6,-0.4})” the first argument in the curly brackets is the eg energy and the second one the t2g instead of the other way around? What is the order for D4h etc… Thanks! Philipp

Answers

, 2017/12/29 08:47

Hello，I am also interested in the answer to the same question.Where can I find the document for the “PotentialExpandedOnClm”?

Thank you.

JiaZhengMa

, 2018/01/10 20:28

We follow the order used for the tables as listed in the Bilbao Crystallographic Server (http://www.cryst.ehu.es/cryst/get_point_genpos.html)

The states are ordered according to degeneracy (a,b,e,t,g) and a1 before a2. More information can be found at in the documentation.

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