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Update README.md
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yangwangmadrid authored Jun 16, 2023
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Expand Up @@ -210,14 +210,14 @@ orbital and each of the Cls' sp4 hybridized orbitals.

### More keywords and options

- `Plot:` *bool*
- **`Plot:`** *`bool`*

Whether or not plot the orbital correltion diagram for MBFOs/MBOs

Default: FALSE


- `PlotCut:` *a positive_value* or *a negative_value*
- **`PlotCut:`** *`a positive_value`* or *`a negative_value`*

In the orbital correltion diagram, only draw MBFOs/MBOs with a bond order (or an orbital interaction energy)
more significant than the cutoff value.
Expand All @@ -226,21 +226,21 @@ orbital and each of the Cls' sp4 hybridized orbitals.
Default: 0.01

- `LabelPlot:` *TRUE* or *FALSE*
- **`LabelPlot:`** *`TRUE`* or *`FALSE`*

Whether or not show the labeling of MBFO/MBO levels in the orbital correltion diagram
Default: TRUE

- `PrintPop:` *bool*
- **`PrintPop:`** *`bool`*

Whether or not print population analysis based on the Mulliken scheme and on the natural atomic orbitals
Default: FALSE

- `WriteOrb:` *MBFO* and/or *MBO* and/or *NAO* and/or *AO*
- **`WriteOrb:`** *`MBFO`* and/or *`MBO`* and/or *`NAO`* and/or *`AO`*

Write the corresponding orbtials to external fchk files
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