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Modify subroutine writeeigenvectors of print=compact
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ishimura committed Aug 12, 2021
1 parent 73f6eaf commit 7b9215c
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion src/fileio.F90
Original file line number Diff line number Diff line change
Expand Up @@ -1616,7 +1616,7 @@ subroutine writeeigenvector(cmo,eigen,itype,datajob,datamol,databasis,datacomp)
endif
endif
enddo
write(datacomp%iout,'(3x,"MO:",i5,5x,"Energy:",f10.5)') jj, eigen(jj)
write(datacomp%iout,'(3x,"MO:",i5,3x,"Energy:",f12.5)') jj, eigen(jj)
do ll= 1,mocount/2
kk = mosave(2*(ll-1)+1)
kk2= mosave(2*ll)
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