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Tutorial
DFT geometry optimisation
DMFT
Removal of CPT approximation
Density of States
Optical spectra
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Tutorial
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Tutorial
¶
In this tutorial we will run some calculations on FeCO
3
.
The FeCO
3
molecule
DFT geometry optimisation
¶
DMFT
¶
Removal of CPT approximation
¶
Density of States
¶
Optical spectra
¶
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