madel.dat

已经编译好的levoo程序

...> sphere N=    3 with iDir=    0 iInv=    0
Final number of sites: Dir=    29 Recipr=    26
(   1.313,   4.010,   4.048), Evjen= 3 -.172886E+00 0.311573E+00 0.000000E+00
...> sphere N=    1 with iDir=   17 iInv=   26
...> sphere N=    2 with iDir=   12 iInv=    0
...> sphere N=    3 with iDir=    0 iInv=    0
Final number of sites: Dir=    29 Recipr=    26
(   1.332,   6.751,   6.731), Evjen= 3 -.198420E+00 0.298637E+00 0.000000E+00
...> sphere N=    1 with iDir=   13 iInv=   26
...> sphere N=    2 with iDir=   15 iInv=    0
...> sphere N=    3 with iDir=    0 iInv=    0
Final number of sites: Dir=    28 Recipr=    26
(   1.353,   9.503,   9.512), Evjen= 3 0.564608E+00 0.157575E+01 0.000000E+00
...> sphere N=    1 with iDir=   23 iInv=   26
...> sphere N=    2 with iDir=    6 iInv=    0
...> sphere N=    3 with iDir=    0 iInv=    0
Final number of sites: Dir=    29 Recipr=    26
(   4.010,   1.313,   4.048), Evjen= 3 -.172886E+00 0.311573E+00 0.000000E+00
...> sphere N=    1 with iDir=   19 iInv=   26
...> sphere N=    2 with iDir=   12 iInv=    0
...> sphere N=    3 with iDir=    0 iInv=    0
Final number of sites: Dir=    31 Recipr=    26
(   3.814,   3.814,   6.936), Evjen= 3 -.462190E+00 0.225178E+00 0.000000E+00
...> sphere N=    1 with iDir=   14 iInv=   26
...> sphere N=    2 with iDir=   15 iInv=    0
...> sphere N=    3 with iDir=    0 iInv=    0
Final number of sites: Dir=    29 Recipr=    26
(   4.038,   6.787,   9.509), Evjen= 3 -.186851E+00 0.305433E+00 0.000000E+00
...> sphere N=    1 with iDir=   16 iInv=   26
...> sphere N=    2 with iDir=   10 iInv=    0
...> sphere N=    3 with iDir=    0 iInv=    0
Final number of sites: Dir=    26 Recipr=    26
(   4.004,   9.541,   1.304), Evjen= 3 0.194204E+00 0.546030E+00 0.000000E+00
...> sphere N=    1 with iDir=   17 iInv=   26
...> sphere N=    2 with iDir=   12 iInv=    0
...> sphere N=    3 with iDir=    0 iInv=    0
Final number of sites: Dir=    29 Recipr=    26
(   6.751,   1.332,   6.731), Evjen= 3 -.198420E+00 0.298637E+00 0.000000E+00
...> sphere N=    1 with iDir=   14 iInv=   26
...> sphere N=    2 with iDir=   15 iInv=    0
...> sphere N=    3 with iDir=    0 iInv=    0
Final number of sites: Dir=    29 Recipr=    26
(   6.787,   4.038,   9.509), Evjen= 3 -.186851E+00 0.305433E+00 0.000000E+00
...> sphere N=    1 with iDir=   17 iInv=   26
...> sphere N=    2 with iDir=   12 iInv=    0
...> sphere N=    3 with iDir=    0 iInv=    0
Final number of sites: Dir=    29 Recipr=    26
(   6.754,   6.754,   1.347), Evjen= 3 -.197103E+00 0.299622E+00 0.000000E+00
...> sphere N=    1 with iDir=   14 iInv=   26
...> sphere N=    2 with iDir=   15 iInv=    0
...> sphere N=    3 with iDir=    0 iInv=    0
Final number of sites: Dir=    29 Recipr=    26
(   6.764,   9.444,   4.053), Evjen= 3 -.197606E+00 0.301265E+00 0.000000E+00
...> sphere N=    1 with iDir=   13 iInv=   26
...> sphere N=    2 with iDir=   15 iInv=    0
...> sphere N=    3 with iDir=    0 iInv=    0
Final number of sites: Dir=    28 Recipr=    26
(   9.503,   1.353,   9.512), Evjen= 3 0.564608E+00 0.157575E+01 0.000000E+00
...> sphere N=    1 with iDir=   16 iInv=   26
...> sphere N=    2 with iDir=   10 iInv=    0
...> sphere N=    3 with iDir=    0 iInv=    0
Final number of sites: Dir=    26 Recipr=    26
(   9.541,   4.004,   1.304), Evjen= 3 0.194204E+00 0.546030E+00 0.000000E+00
...> sphere N=    1 with iDir=   14 iInv=   26
...> sphere N=    2 with iDir=   15 iInv=    0
...> sphere N=    3 with iDir=    0 iInv=    0
Final number of sites: Dir=    29 Recipr=    26
(   9.444,   6.764,   4.053), Evjen= 3 -.197606E+00 0.301265E+00 0.000000E+00
...> sphere N=    1 with iDir=   12 iInv=   26
...> sphere N=    2 with iDir=   16 iInv=    0
...> sphere N=    3 with iDir=    0 iInv=    0
Final number of sites: Dir=    28 Recipr=    26
(   9.450,   9.450,   6.670), Evjen= 3 0.147935E+00 0.496878E+00 0.000000E+00
...> sphere N=    1 with iDir=   23 iInv=   26
...> sphere N=    2 with iDir=    6 iInv=    0
...> sphere N=    3 with iDir=    0 iInv=    0
Final number of sites: Dir=    29 Recipr=    26
(   4.040,   4.040,   1.315), Evjen= 3 -.175519E+00 0.310212E+00 0.000000E+00
...> sphere N=    1 with iDir=   19 iInv=   26
...> sphere N=    2 with iDir=   12 iInv=    0
...> sphere N=    3 with iDir=    0 iInv=    0
Final number of sites: Dir=    31 Recipr=    26
(   4.057,   6.877,   3.979), Evjen= 3 -.512939E+00 0.210327E+00 0.000000E+00
...> sphere N=    1 with iDir=   14 iInv=   26
...> sphere N=    2 with iDir=   15 iInv=    0
...> sphere N=    3 with iDir=    0 iInv=    0
Final number of sites: Dir=    29 Recipr=    26
(   4.043,   9.465,   6.780), Evjen= 3 -.192548E+00 0.303415E+00 0.000000E+00
...> sphere N=    1 with iDir=   17 iInv=   26
...> sphere N=    2 with iDir=   10 iInv=    0
...> sphere N=    3 with iDir=    0 iInv=    0
Final number of sites: Dir=    27 Recipr=    26
(   4.012,   1.355,   9.462), Evjen= 3 0.179471E+00 0.534330E+00 0.000000E+00
...> sphere N=    1 with iDir=   19 iInv=   26
...> sphere N=    2 with iDir=   12 iInv=    0
...> sphere N=    3 with iDir=    0 iInv=    0
Final number of sites: Dir=    31 Recipr=    26
(   6.877,   4.057,   3.979), Evjen= 3 -.512939E+00 0.210327E+00 0.000000E+00
...> sphere N=    1 with iDir=   19 iInv=   26
...> sphere N=    2 with iDir=   12 iInv=    0
...> sphere N=    3 with iDir=    0 iInv=    0
Final number of sites: Dir=    31 Recipr=    26
(   6.746,   6.746,   6.896), Evjen= 3 -.534375E+00 0.204387E+00 0.000000E+00
...> sphere N=    1 with iDir=   11 iInv=   26
...> sphere N=    2 with iDir=   16 iInv=    0
...> sphere N=    3 with iDir=    0 iInv=    0
Final number of sites: Dir=    27 Recipr=    26
(   6.679,   9.450,   9.503), Evjen= 3 0.154626E+00 0.501943E+00 0.000000E+00
...> sphere N=    1 with iDir=   20 iInv=   26
...> sphere N=    2 with iDir=    6 iInv=    0
...> sphere N=    3 with iDir=    0 iInv=    0
Final number of sites: Dir=    26 Recipr=    26
(   6.735,   1.304,   1.316), Evjen= 3 0.180614E+00 0.524021E+00 0.000000E+00
...> sphere N=    1 with iDir=   14 iInv=   26
...> sphere N=    2 with iDir=   15 iInv=    0
...> sphere N=    3 with iDir=    0 iInv=    0
Final number of sites: Dir=    29 Recipr=    26
(   9.465,   4.043,   6.780), Evjen= 3 -.192548E+00 0.303415E+00 0.000000E+00
...> sphere N=    1 with iDir=   11 iInv=   26
...> sphere N=    2 with iDir=   16 iInv=    0
...> sphere N=    3 with iDir=    0 iInv=    0
Final number of sites: Dir=    27 Recipr=    26
(   9.450,   6.679,   9.503), Evjen= 3 0.154626E+00 0.501943E+00 0.000000E+00
...> sphere N=    1 with iDir=   13 iInv=   26
...> sphere N=    2 with iDir=   15 iInv=    0
...> sphere N=    3 with iDir=    0 iInv=    0
Final number of sites: Dir=    28 Recipr=    26
(   9.489,   9.489,   1.325), Evjen= 3 0.563449E+00 0.156949E+01 0.000000E+00
...> sphere N=    1 with iDir=   16 iInv=   26
...> sphere N=    2 with iDir=   10 iInv=    0
...> sphere N=    3 with iDir=    0 iInv=    0
Final number of sites: Dir=    26 Recipr=    26
(   9.510,   1.320,   4.075), Evjen= 3 0.181030E+00 0.530193E+00 0.000000E+00
...> sphere N=    1 with iDir=   17 iInv=   26
...> sphere N=    2 with iDir=   10 iInv=    0
...> sphere N=    3 with iDir=    0 iInv=    0
Final number of sites: Dir=    27 Recipr=    26
(   1.355,   4.012,   9.462), Evjen= 3 0.179471E+00 0.534330E+00 0.000000E+00
...> sphere N=    1 with iDir=   20 iInv=   26
...> sphere N=    2 with iDir=    6 iInv=    0
...> sphere N=    3 with iDir=    0 iInv=    0
Final number of sites: Dir=    26 Recipr=    26
(   1.304,   6.735,   1.316), Evjen= 3 0.180614E+00 0.524021E+00 0.000000E+00
...> sphere N=    1 with iDir=   16 iInv=   26
...> sphere N=    2 with iDir=   10 iInv=    0
...> sphere N=    3 with iDir=    0 iInv=    0
Final number of sites: Dir=    26 Recipr=    26
(   1.320,   9.510,   4.075), Evjen= 3 0.181030E+00 0.530193E+00 0.000000E+00
...> sphere N=    1 with iDir=   20 iInv=   26
...> sphere N=    2 with iDir=    6 iInv=    0
...> sphere N=    3 with iDir=    0 iInv=    0
Final number of sites: Dir=    26 Recipr=    26
(   1.214,   1.214,   6.803), Evjen= 3 0.207245E+00 0.549230E+00 0.000000E+00
...> sphere N=    1 with iDir=   19 iInv=   26
...> sphere N=    2 with iDir=   12 iInv=    0
...> sphere N=    3 with iDir=    0 iInv=    0
Final number of sites: Dir=    31 Recipr=    26
(   4.072,   4.072,   5.284), Evjen= 3 -.601935E+00 0.186266E+00 0.000000E+00
____> Madelung potential: 0.974724E+00
Contributions:
-.168845E+00 0.117139E+00 0.383815E-01 0.113230E+00 0.117139E+00 0.454852E-01
0.435113E-01 0.115868E+00 0.383815E-01 0.435113E-01 0.383749E-01 0.443610E-01
0.113230E+00 0.115868E+00 0.443610E-01 0.410447E-01 0.119088E+00 0.434174E-01
0.428941E-01 0.113450E+00 0.434174E-01 0.183897E-01 0.417452E-01 0.831483E-01
0.428941E-01 0.417452E-01 0.107747E+00 0.111312E+00 0.113450E+00 0.831483E-01
0.111312E+00 0.829288E-01 0.270107E+00 0.490645E-01 0.467085E-01 0.262173E+00
0.490645E-01 0.321705E-01 0.479283E-01 0.908344E-01 0.467085E-01 0.479283E-01
0.468818E-01 0.471445E-01 0.262173E+00 0.908344E-01 0.471445E-01 0.823770E-01
0.488172E-01 0.292566E-01 0.475439E-01 0.887849E-01 0.292566E-01 0.280800E-01
0.832672E-01 0.871169E-01 0.475439E-01 0.832672E-01 0.261143E+00 0.881263E-01
0.887849E-01 0.871169E-01 0.881263E-01 0.914828E-01 0.244694E-01