Dear all can anybody tell me why my relax calculation doesn't provide the force output correctly?<br><br>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 <br>
<br><br> atom 1 type 3 force = 0.00000000 0.00000000**************<br> atom 2 type 2 force = 0.00000000****************************<br> atom 3 type 1 force = 0.00000000 0.00000000**************<br>
atom 4 type 1 force = ******************************************<br> atom 5 type 1 force = ************** 0.00000000**************<br> atom 6 type 1 force = 0.00000000****************************<br>
atom 7 type 1 force = 0.00000000 0.00000000 0.00000000<br> atom 8 type 1 force = **************************** 0.00000000<br> atom 9 type 1 force = 0.00000000****************************<br>
atom 10 type 1 force = ************** 0.00000000**************<br> atom 11 type 1 force = ******************************************<br> atom 12 type 1 force = 0.00000000 0.00000000**************<br>
atom 13 type 2 force = 0.00000000****************************<br> atom 14 type 3 force = 0.00000000 0.00000000**************<br> atom 15 type 2 force = 0.00000000****************************<br>
atom 16 type 2 force = 0.00000000****************************<br> atom 17 type 2 force = 0.00000000****************************<br> atom 18 type 1 force = 0.00000000 0.00000000**************<br>
atom 19 type 1 force = 0.00000000 0.00000000**************<br> atom 20 type 1 force = 0.00000000 0.00000000**************<br> atom 21 type 1 force = ******************************************<br>
atom 22 type 1 force = ******************************************<br> atom 23 type 1 force = ******************************************<br> atom 24 type 1 force = ************** 0.00000000**************<br>
atom 25 type 1 force = ************** 0.00000000**************<br> atom 26 type 1 force = ************** 0.00000000**************<br> atom 27 type 1 force = 0.00000000****************************<br>
atom 28 type 1 force = 0.00000000****************************<br> atom 29 type 1 force = 0.00000000****************************<br> atom 30 type 1 force = 0.00000000 0.00000000 0.00000000<br>
atom 31 type 1 force = 0.00000000 0.00000000 0.00000000<br> atom 32 type 1 force = 0.00000000 0.00000000 0.00000000<br> atom 33 type 1 force = ******************************************<br>
atom 34 type 1 force = **************************** 0.00000000<br> atom 35 type 1 force = **************************** 0.00000000<br> atom 36 type 1 force = 0.00000000****************************<br>
atom 37 type 1 force = 0.00000000****************************<br> atom 38 type 1 force = 0.00000000****************************<br> atom 39 type 1 force = ************** 0.00000000**************<br>
atom 40 type 1 force = ************** 0.00000000**************<br> atom 41 type 1 force = ************** 0.00000000**************<br> atom 42 type 1 force = ******************************************<br>
atom 43 type 1 force = ******************************************<br> atom 44 type 1 force = ******************************************<br> atom 45 type 1 force = 0.00000000 0.00000000**************<br>
atom 46 type 1 force = 0.00000000 0.00000000**************<br> atom 47 type 1 force = 0.00000000 0.00000000**************<br> atom 48 type 2 force = 0.00000000****************************<br>
atom 49 type 2 force = 0.00000000****************************<br> atom 50 type 2 force = 0.00000000****************************<br> Total force = NAN Total SCF correction = 0.000703<br>
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