diff --git a/soc/readinput.f90 b/soc/readinput.f90 index ae056f83..564d475d 100644 --- a/soc/readinput.f90 +++ b/soc/readinput.f90 @@ -552,6 +552,8 @@ subroutine readinput write(stdout, '(a,2f10.4)')' cell_volume vs cell_volume-new', cell_volume, cell_volume2 write(stdout, '(a)')" However, don't worry, WannierTools will help you to find a suitable rotation matrix." write(stdout, '(a)')" I am looking for new unit cell atuomatically: " + endif !> print out the new basis + if (abs(abs(cell_volume2)-abs(cell_volume))> 0.001d0) then call FindTheThirdLatticeVector() R1= Umatrix(1, 1)*Rua+ Umatrix(1, 2)*Rub+ Umatrix(1, 3)*Ruc R2= Umatrix(2, 1)*Rua+ Umatrix(2, 2)*Rub+ Umatrix(2, 3)*Ruc