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fixed a bug in main.f90 by changing the order between asign num_wann …
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…and read symmetry
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quanshengwu committed Dec 10, 2023
1 parent edf00f7 commit b65b436
Showing 1 changed file with 11 additions and 4 deletions.
15 changes: 11 additions & 4 deletions src/main.f90
Original file line number Diff line number Diff line change
Expand Up @@ -76,11 +76,11 @@ program main
endif

!> readin the control parameters for this program
call now(time_start)
call readinput

!> Check the symmetry operator if Symmetry_Import_calc= T
call symmetry

call now(time_end)
call print_time_cost(time_start, time_end, 'readinput')

!> set Num_wann from wt.in, Num_wann should be consistent with the hr.dat
Num_wann= sum(Origin_cell%nprojs)
if (SOC>0) num_wann= 2*num_wann
Expand All @@ -99,6 +99,13 @@ program main

!> dimension for surface green's function
Ndim= Num_wann* Np

!> Check the symmetry operator if Symmetry_Import_calc= T
call now(time_start)
call symmetry
call now(time_end)
call print_time_cost(time_start, time_end, 'symmetry')


if (cpuid==0)then
write(stdout,*) ' >> Begin to read Hmn_R.data'
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