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# Extracting Wave Functions | ||
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ABACUS is able to output electron wave functions in both PW and LCAO basis calculations. One can find the examples in [examples/wfc](#https://github.com/deepmodeling/abacus-develop/tree/develop/examples/wfc). | ||
ABACUS is able to output electron wave functions in both PW and LCAO basis calculations. One can find the examples in [examples/wfc](https://github.com/deepmodeling/abacus-develop/tree/develop/examples/wfc). | ||
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## wave function in G space | ||
For the wave function in G space, one only needs to do a ground-state energy calculation with one additional keyword in the INPUT file: '***[out_wfc_pw](#https://abacus-rtd.readthedocs.io/en/latest/advanced/input_files/input-main.html#out-wfc-pw)***' for PW basis calculation, and '***[out_wfc_lcao](#https://abacus-rtd.readthedocs.io/en/latest/advanced/input_files/input-main.html#out-wfc-lcao)***' for LCAO basis calculation. | ||
For the wave function in G space, one only needs to do a ground-state energy calculation with one additional keyword in the INPUT file: '***[out_wfc_pw](https://abacus-rtd.readthedocs.io/en/latest/advanced/input_files/input-main.html#out-wfc-pw)***' for PW basis calculation, and '***[out_wfc_lcao](https://abacus-rtd.readthedocs.io/en/latest/advanced/input_files/input-main.html#out-wfc-lcao)***' for LCAO basis calculation. | ||
In the PW basis case, the wave function is output in a file called `WAVEFUNC${k}.txt`, where `${k}` is the index of K point. \ | ||
In the LCAO basis case, several `LOWF_K_${k}.dat` files will be output in multi-k calculation and `LOWF_GAMMA_S1.dat` in gamma-only calculation. | ||
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## wave function in real space | ||
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One can also choose to output real-space wave function in PW basis calculation with the key word ***[out_wfc_r](#https://abacus-rtd.readthedocs.io/en/latest/advanced/input_files/input-main.html#out_wfc_r)***. | ||
One can also choose to output real-space wave function in PW basis calculation with the key word ***[out_wfc_r](https://abacus-rtd.readthedocs.io/en/latest/advanced/input_files/input-main.html#out_wfc_r)***. | ||
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After calculation, an additional directory named `wfc_realspace` will appear in the `OUT.${system}` directory. | ||
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Notice: when the ***[basis_type](https://abacus-rtd.readthedocs.io/en/latest/advanced/input_files/input-main.html#basis_type)*** is `lcao`, only `ienvelope` ***[calculation](#https://abacus-rtd.readthedocs.io/en/latest/advanced/input_files/input-main.html#calculation)*** is effective. An example is [examples/wfc/lcao_ienvelope_Si2](#https://github.com/deepmodeling/abacus-develop/tree/develop/examples/wfc/lcao_ienvelope_Si2). | ||
Notice: when the ***[basis_type](https://abacus-rtd.readthedocs.io/en/latest/advanced/input_files/input-main.html#basis_type)*** is `lcao`, only `ienvelope` ***[calculation](https://abacus-rtd.readthedocs.io/en/latest/advanced/input_files/input-main.html#calculation)*** is effective. An example is [examples/wfc/lcao_ienvelope_Si2](https://github.com/deepmodeling/abacus-develop/tree/develop/examples/wfc/lcao_ienvelope_Si2). |