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/*******************************************************************************/ / / These are the examples of ABACUS program. / /*******************************************************************************/ ABACUS supports density functional theory calculations using ultrasoft pseudopotentials First one should prepare corresponding ultrasoft pseudopotentials and other input files. `ecutrho` should be no less than 4 times of `ecutwfc`. (`ecutrho` = 8 to 12 times `ecutwfc`, typically) ``` INPUT_PARAMETERS ecutwfc 40 ecutrho 240 ``` Detailed explaination of these keywords can be found [here](https://github.com/deepmodeling/abacus-develop/blob/develop/docs/input-main.md#plane-wave-related-variables).