Au GTH-PADE-q1 GTH-LDA-q1
    1
     0.65000000    2    -1.96371223    -1.69812291
    2
     0.91930757    3     1.53959915     0.18155717    -0.19323771
                                       -0.46877861     0.49893761
                                                      -0.79203890
     1.14035080    3     0.47122943     0.21024829    -0.06235978
                                       -0.49753827     0.14757016
                                                      -0.20975780
