# Extracting Wave Functions

ABACUS is able to output electron wave functions in both PW and LCAO basis calculations. One can find the examples in examples/wfc.

## 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*’ for PW basis calculation, and ‘

*’ for LCAO basis calculation. In the PW basis case, the wave function is output in a file called*

**out_wfc_lcao**`WAVEFUNC${k}.txt`

, where `${k}`

is the index of K point. In the LCAO basis case, several

`WFC_NAO_K${k}.dat`

files will be output in multi-k calculation and `WFC_NAO_GAMMA1.dat`

in gamma-only calculation.## wave function in real space

One can also choose to output real-space wave function in PW basis calculation with the key word * out_wfc_r*.

After calculation, an additional directory named `wfc_realspace`

will appear in the `OUT.${system}`

directory.

Notice: when the * basis_type* is

`lcao`

, only `get_wf`

*is effective. An example is examples/wfc/lcao_ienvelope_Si2.*

**calculation**