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[myid520@163.com]

Ni hao lfe11 and Masayoshi,

I also come across the same problem as lfe11 sometimes. First, it gives the 
symatm warning as following, then gives the error as showing by lfe11. but it 
sometimes doesn’t give the error too. 

I think the reason for this is that the symmetry is broken in the relaxing. 
When I come across the problem, I also set nsym to zero and restart the 
running using the atomic coordinates that gives the error to let the program 
analyze the new symmetry of system. Setting nsym=1 is ok of course, but it 
will waste a lot of time.

What puzzle me is why it sometimes doesn’t give the error. 

Best wishes

Zhenhua Zeng
Hunan University, PR china

#########################################################
symatm : WARNING -
  Trouble finding symmetrically equivalent atoms
  Applying inv of symm number  3 to atom number   7  of typat  1
  gives tratom=  6.6773E-01  1.0608E-03  2.5044E-01.
  This is further away from every atom in crystal than the allowed tolerance.
  The inverse symmetry matrix is -1 -1  0
                                  1  0  0
                                  0  0  1
  and the nonsymmorphic transl. tnons =    0.3333333   -0.3333333    0.0000000
  The nearest coordinate differs by -4.221E-06 -2.111E-06  0.000E+00
  for indsym(nearest atom)=    8
…
…
symatm : WARNING -
  Trouble finding symmetrically equivalent atoms
  Applying inv of symm number  6 to atom number  12  of typat  1
  gives tratom= -3.1491E-01 -6.6670E-01  3.7288E-01.
  This is further away from every atom in crystal than the allowed tolerance.
  The inverse symmetry matrix is  1  0  0
                                 -1 -1  0
                                  0  0  1
  and the nonsymmorphic transl. tnons =    0.3333333   -0.3333333    0.0000000
  The nearest coordinate differs by -3.519E-05 -7.038E-05  0.000E+00
  for indsym(nearest atom)=   12