Hi Wien2k experts ,
I am working with CoGe (Bulk), while doing virtual crystal approximation. i
need to change NE in case.in2c file.In case.in2c file it has 116 electrons.I am
unable to understand how software count it 116 electrons.For 27(Co)+32(Ge) *4 =
236 (since structure has 4 multiplicity
understanding number of electrons
Hi Wien2k experts ,
I am working with CoGe (Bulk), while doing virtual crystal approximation. i
need to change NE in case.in2c file.
In case.in2c file it has 116 electrons.
I am unable to understand how software count it 116 electrons.
For 27(Co)+32(Ge) *4 = 236
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