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Restore limits on band structure #477

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Merged
davidbowler merged 1 commit into from
Sep 10, 2026
Merged

Restore limits on band structure #477

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4 changes: 2 additions & 2 deletions tools/PostProcessing/process_module.f90
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Original file line number Diff line number Diff line change
Expand Up @@ -2001,13 +2001,13 @@ subroutine process_band_structure
E_DOS_min = minval(eigenvalues(1,:,:))
write(*,fmt='(2x,"Band structure lower limit set automatically: ",f12.5," Ha")') E_DOS_min
else
write(*,fmt='(2x,"Band structure lower limit set by user: ",f12.5," Ha")') E_DOS_min
write(*,fmt='(2x,"Band structure lower limit set by user: ",e12.5," Ha")') E_DOS_min
end if
if(abs(E_DOS_max)<RD_ERR) then
E_DOS_max = maxval(eigenvalues(n_bands_total,:,:))
write(*,fmt='(2x,"Band structure upper limit set automatically: ",f12.5," Ha")') E_DOS_max
else
write(*,fmt='(2x,"Band structure upper limit set by user: ",f12.5," Ha")') E_DOS_max
write(*,fmt='(2x,"Band structure upper limit set by user: ",e12.5," Ha")') E_DOS_max
end if
write(*,fmt='(2x,"Writing band structure files")')
if(flag_proc_band_str==4) then
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2 changes: 1 addition & 1 deletion tools/PostProcessing/read_module.f90
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Expand Up @@ -273,7 +273,7 @@ subroutine read_input
! DOS
flag_wf_range_Ef = fdf_boolean('IO.WFRangeRelative',.true.)
flag_procwf_range_Ef = fdf_boolean('Process.WFRangeRelative',flag_wf_range_Ef)
if(i_job==6.or.i_job==7) then
if(i_job==6.or.i_job==7.or.i_job==8) then
! Add flag for window relative to Fermi level
E_DOS_min = fdf_double('Process.min_DOS_E',E_wf_min)
E_DOS_max = fdf_double('Process.max_DOS_E',E_wf_max)
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