[Pw_forum] Does anybody have the same problem for the relax calculation about the atom force

[文沈]

Dear all can anybody tell me why my relax calculation doesn't provide the
force output correctly?

As follows, in the output file, it gives the force and 0.000000000 or
*******.  I don't know why it doesn't give any correct force value.my input
file is in the attachment


  atom   1 type  3   force =     0.00000000    0.00000000**************
     atom   2 type  2   force =     0.00000000****************************
     atom   3 type  1   force =     0.00000000    0.00000000**************
     atom   4 type  1   force = ******************************************
     atom   5 type  1   force = **************    0.00000000**************
     atom   6 type  1   force =     0.00000000****************************
     atom   7 type  1   force =     0.00000000    0.00000000    0.00000000
     atom   8 type  1   force = ****************************    0.00000000
     atom   9 type  1   force =     0.00000000****************************
     atom  10 type  1   force = **************    0.00000000**************
     atom  11 type  1   force = ******************************************
     atom  12 type  1   force =     0.00000000    0.00000000**************
     atom  13 type  2   force =     0.00000000****************************
     atom  14 type  3   force =     0.00000000    0.00000000**************
     atom  15 type  2   force =     0.00000000****************************
     atom  16 type  2   force =     0.00000000****************************
     atom  17 type  2   force =     0.00000000****************************
     atom  18 type  1   force =     0.00000000    0.00000000**************
     atom  19 type  1   force =     0.00000000    0.00000000**************
     atom  20 type  1   force =     0.00000000    0.00000000**************
     atom  21 type  1   force = ******************************************
     atom  22 type  1   force = ******************************************
     atom  23 type  1   force = ******************************************
     atom  24 type  1   force = **************    0.00000000**************
     atom  25 type  1   force = **************    0.00000000**************
     atom  26 type  1   force = **************    0.00000000**************
     atom  27 type  1   force =     0.00000000****************************
     atom  28 type  1   force =     0.00000000****************************
     atom  29 type  1   force =     0.00000000****************************
     atom  30 type  1   force =     0.00000000    0.00000000    0.00000000
     atom  31 type  1   force =     0.00000000    0.00000000    0.00000000
     atom  32 type  1   force =     0.00000000    0.00000000    0.00000000
     atom  33 type  1   force = ******************************************
     atom  34 type  1   force = ****************************    0.00000000
     atom  35 type  1   force = ****************************    0.00000000
     atom  36 type  1   force =     0.00000000****************************
     atom  37 type  1   force =     0.00000000****************************
     atom  38 type  1   force =     0.00000000****************************
     atom  39 type  1   force = **************    0.00000000**************
     atom  40 type  1   force = **************    0.00000000**************
     atom  41 type  1   force = **************    0.00000000**************
     atom  42 type  1   force = ******************************************
     atom  43 type  1   force = ******************************************
     atom  44 type  1   force = ******************************************
     atom  45 type  1   force =     0.00000000    0.00000000**************
     atom  46 type  1   force =     0.00000000    0.00000000**************
     atom  47 type  1   force =     0.00000000    0.00000000**************
     atom  48 type  2   force =     0.00000000****************************
     atom  49 type  2   force =     0.00000000****************************
     atom  50 type  2   force =     0.00000000****************************
     Total force =          NAN     Total SCF correction =     0.000703
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