Geometry Optimisation with CASTEP
Geometry Optimisation with CASTEP
Geometry Optimisation with CASTEP
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pc under the command prompt. To do this we type<br />
castep <br />
ie<br />
castep si2<br />
when we are in the folder in which the castep executable and the input files are located (including the<br />
pseudopotential files). In the next section we will use the results of this calculation to discuss the output<br />
files.<br />
Next: Outputs Up: <strong>Geometry</strong> <strong>Optimisation</strong> <strong>with</strong> <strong>CASTEP</strong> Previous: Electronic Minimisation<br />
Parameters<br />
2005-04-04