Pu GTH-PADE-q16 GTH-LDA-q16
    4    6    0    6
     0.47000000    2    47.45124733    -3.54897313
    4
     0.46119535    3    -2.43825620     1.59744305     0.32958855
                                       -1.52621429    -0.85099398
                                                       0.67545553
     0.35860673    3     3.02563169    -3.05562371     0.49731368
                                        4.44341417    -1.17685896
                                                       0.83639992
     0.66919182    2     0.44060277     0.39248064
                                       -0.44503121
     0.31665469    1   -17.01355118
