Skip to main content
. 2016 May 10;3:160031. doi: 10.1038/sdata.2016.31

Table 2. Format of _Result file tabulate the result of the IAC calculation. The ARPES intensity are written for ɸ and θk. The kinetic energy of each column is matched with that of _Inp file (Table 1).

0 0 0 0 0 0 0 0 0 46 47 •••
0 −1 2.2 1 0 0.1 0.2 2.7 1.3 −0.01 −0.07 •••
0 1 2.2 1 0 0.1 0.2 2.7 1.3 −0.02 -0.08 •••
0 0 2.2 1 0 0.1 0.2 2.7 1.3 0 0 •••
Dummy Magnetic quantum number               Atomic position
Radial matrix element9
Phase shift9
Kinetic energy of electron at each state
2p for PAH 3p for BP X Y Z Rs Rd Ds Dd Coefficient, Ca,l,m