2
# Excited state computation, using LDA/TDLDA
3
# Uses nsppol=2, although the molecule is not spin-polarized
16
#Common to all except GS calculations
25
acell 6 5 5.001 Angstrom
27
diemac 1.0d0 diemix 0.5d0
38
xcart -0.54885 0 0 0.54885 0 0 Angstrom ! Distance 1.0977 Angstrom