Ca.library.meam

This is one of the potential files. This specifies the parameters relating to pure element of Calcium. It is also possible to have parameters of other pure elements. That way you can have one library.meam file for all alloy potentials and have different files for parameters describing pair interactions between different elements.

#meam data Calcium # elt lat z ielement atwt # alpha b0 b1 b2 b3 alat esub asub # t0 t1 t2 t3 rozero ibar 'Ca' fcc 12 20 40.078 4.7 2.2 0.01 1.0 1.0 5.58 1.84 1.0 1.0 12.0 0.3 2.0 1.0 0

See

• Ca.meam
• Ca.in.meam
• Ca.pos

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