[CP2K-user] [CP2K:20131] Overlap matrix format query

[Zhibo Wang]

What are the column labels for the overlap matrix? I assume that the setup 
is [orbital number, atom number, atom type, orbital type, matrix ...] but 
for the orbital type the label does not seem to be n and l. What is the 
number affixed before the l then?

Overlap matrix output head for CsF:
OVERLAP MATRIX

                                1            2            3            4
     1    1  Cs    2s        1.632390     2.621122     1.273099    -0.000000
     2    1  Cs    3s        2.621122     8.007919     4.342380     0.000000
     3    1  Cs    4s        1.273099     4.342380     2.948680    -0.000000
     4    1  Cs    3py      -0.000000     0.000000    -0.000000     0.966199
     5    1  Cs    3pz       0.000000     0.000000    -0.000000    -0.000000
     6    1  Cs    3px      -0.000000    -0.000000    -0.000000     0.000000
     7    1  Cs    4py      -0.000000    -0.000000     0.000000    -0.124733
     8    1  Cs    4pz      -0.000000     0.000000     0.000000    -0.000000
     9    1  Cs    4px      -0.000000     0.000000     0.000000     0.000000
    10    1  Cs    4d-2     -0.000000     0.000000    -0.000000     0.000000
    11    1  Cs    4d-1     -0.000000     0.000000    -0.000000     0.000000
    12    1  Cs    4d0       0.000000    -0.000000     0.000000    -0.000000
    13    1  Cs    4d+1      0.000000     0.000000    -0.000000     0.000000
    14    1  Cs    4d+2      0.000000    -0.000000     0.000000     0.000000

    15    2  F     2s        0.389074     0.899446     0.553087     0.000000
    16    2  F     3s        0.331211     0.719056     0.306653     0.000000
    17    2  F     3py       0.000000     0.000000     0.000000    -0.065002
    18    2  F     3pz      -0.000000     0.000000    -0.000000     0.000000
    19    2  F     3px      -0.000000    -0.000000    -0.000000    -0.000000
    20    2  F     4py       0.000000     0.000000     0.000000    -0.128646
    21    2  F     4pz      -0.000000    -0.000000    -0.000000     0.000000
    22    2  F     4px      -0.000000    -0.000000    -0.000000    -0.000000
    23    2  F     4d-2     -0.000000     0.000000    -0.000000    -0.000000
    24    2  F     4d-1      0.000000     0.000000     0.000000     0.000000
    25    2  F     4d0      -0.000000    -0.000000     0.000000     0.066629
    26    2  F     4d+1      0.000000     0.000000     0.000000    -0.000000
    27    2  F     4d+2     -0.000000    -0.000000    -0.000000     0.115404

I do not believe F has 3p orbitals and no 2p orbitals nor does Cs stop at 
n=4.

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