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Merge pull request castep-docs#143 from Inker2401/xc_typo_fix
Corrected a few typos and added warning for XC_DEFINITION usage
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docs/documentation/Groundstate/population_analysis.md

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@@ -60,7 +60,7 @@ is calculated, where $Z'$ is the pseudoatom nuclear charge.
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### The CASTEP implementation
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In CASTEP, the solution of the electronic problem results in a set of Kohn-Sham orbitals $\psi _ i$, which are expressed in terms of plane-wave functions. Plane-waves are non-local, therefore not
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directly suitable for Mulliken population analysis. In order to obtain a suitable local basis, CASTEP solves the electronic problem of the isolated atom for each atomic specie present in the system,
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directly suitable for Mulliken population analysis. In order to obtain a suitable local basis, CASTEP solves the electronic problem of the isolated atom for each atomic species present in the system,
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resulting in a set of atomic orbitals $\chi _ \mu$. Note that for this set of calculations, the same calculation settings (e.g. electronic cutoff and pseudopotentials) are used. With the atomic
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orbitals determined, the Mulliken population analysis can be performed by calculating the projections $\langle \chi _ \mu | \psi _ i \rangle$.
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docs/documentation/XC/XC.md

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@@ -71,9 +71,15 @@ LDA-C 1.0
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%endblock xc_definition
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```
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!!! warning
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When specifying parameters within the `xc_definition` block, one should not
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specify separator characters such `:` or `=` between the keyword and parameters.
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In addition, note that functional names within XC definition are **case-sensitive**
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and should thus be entered in uppercase.
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Examples:
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1. B3LYP
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Firstly you cansimply use `xc_functional : B3LYP`, however
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Firstly you can simply use `xc_functional : B3LYP`, however
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`B3LYP` is a hybrid functional consisting of a mixture of
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Hartree-Fock, LDA and B88 exchange, LYP and LDA correlation. This
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functional can be specified component by component:

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