Abinit (abi2bgw)

abi2bgw code input format (abi2bgw.in)

wfng_file_abi 'out_data/odat_WFK'
wfng_flag .true.
wfng_file 'WFN'
wfng_nk1 2
wfng_nk2 2
wfng_nk3 2
wfng_dk1 0
wfng_dk2 0
wfng_dk3 0
rhog_file_abi '../01-Density/out_data/odat_DEN'
rhog_flag .true.
rhog_file 'RHO'
cell_symmetry 0
symrel_file_flag .false.
vxcg_file_abi '../01-Density/out_data/odat_VXC'
vxcg_flag .true.
vxcg_file 'VXC'
!
! Documentation (please remove all these lines starting with an exclamation mark)
! The order of the input keywords CANNOT BE CHANGED!
!
! wfng_file_abi 'out_data/odat_WFK' ! Wavefunction output by Abinit
! wfng_flag .true.                  ! Whether to convert the wavefunction (written in complex flavor only)
! wfng_file 'WFN'                   ! Name of the output file, in BerkeleyGW format
! wfng_nk1 2                        ! Monkhorst-pack grid, kx
! wfng_nk2 2                        ! Monkhorst-pack grid, ky
! wfng_nk3 2                        ! Monkhorst-pack grid, kz
! wfng_dk1 0                        ! Monkhorst-pack shift, dk1
! wfng_dk2 0                        ! Monkhorst-pack shift, dk2
! wfng_dk3 0                        ! Monkhorst-pack shift, dk3
! rhog_file_abi '../01-Density/out_data/odat_DEN' ! Charge-density output by Abinit
! rhog_flag .true.                                ! Whether to convert the charge-density (written in complex flavor only)
! rhog_file 'RHO'                                 ! Name of the output file, in BerkeleyGW format
! cell_symmetry 0                                 ! Not used
! symrel_file_flag .false.                        ! Not used
! vxcg_file_abi '../01-Density/out_data/odat_VXC' ! Vxc output by Abinit
! vxcg_flag .true.                                ! Whether to convert the Vxc file
! vxcg_file 'VXC'                                 ! Name of the output file, in BerkeleyGW format