[Pw_forum] big atomic forces

[Jess Kondor]

Hello, everybody,

 I have a question. I relaxed a surface using 8x8x1 k-point mesh and 'm-v'
smearing method with degauss=0.01 with criteria for forces 4.d-4 . Then I
performed 'scf' calculation with increased number of k-points (12x12x1) and
turn on an option 'tprnfor = .true.' in order to calculate forces. Forces
are OK (all lower than 4.d-4). But when I perform 'scf' with occupation
method 'tetrahedra'  (other parameters are the same), forces on atoms are
much higher (some of them are ~2.0d-3). Does it mean that geometry
relaxation is not been completed?

cheers,
   Jess
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