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--
BerkeleyGW
--- BerkeleyGW_CalcDipoleMtxels
--- BerkeleyGW_CalcExchange
--- BerkeleyGW_Complex
--- BerkeleyGW_NumberBands
--- BerkeleyGW_VmtxelNumCondBands
--- BerkeleyGW_VmtxelNumValBands
--- BerkeleyGW_VmtxelPolarization
--- BerkeleyGW_Vxc_diag_nmax
--- BerkeleyGW_Vxc_diag_nmin
--- BerkeleyGW_Vxc_offdiag_nmax
--- BerkeleyGW_Vxc_offdiag_nmin
--- BerkeleyGW_WFN_filename
-- BandStructureComputeProjections
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-- OutputMEStart
-- OutputWfsNumber
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BerkeleyGW_VmtxelPolarization
BerkeleyGW_VmtxelPolarization
Section Output::BerkeleyGW
Type block
Default (1, 0, 0)
Polarization, i.e. direction vector, for which to calculate vmtxel , if you have set
BerkeleyGW_CalcDipoleMtxels = yes . May not have any component in a periodic direction.
The vector will be normalized.
Source information
output/output.F90 : 979
if ( bgw % calc_vmtxel . and . parse_block ( namespace , 'BerkeleyGW_VmtxelPolarization' , blk ) == 0 ) then