[Wien] question

[Hajar Nejati]

Hi, WIEN2K developers and users

what is the different between FOR (total force), FCA(total force with respect to global cartesian coordinate) and FGL(total force with respect to global coordinate system ) in the scf-file?
 why the amount of partial FOR, FCA and FGL in case.scf  for one compound are not equal??

the end of case.scf is:


TOTAL FORCE IN mRy/a.u. = |F| Fx Fy Fz with/without FOR in case.in2
:FOR001: 1.ATOM 0.000 0.000 0.000 0.000 partial forces
:FOR002: 2.ATOM44.278 0.000 0.000 -44.278 partial forces

TOTAL FORCE WITH RESPECT TO GLOBAL CARTESIAN COORDINATES:
:FCA001: 1.ATOM    0.000    0.000   0.000     partial forces
:FCA002: 2.ATOM  -31.309 -31.309  0.000   partial forces

TOTAL FORCE WITH RESPECT TO THE GLOBAL COORDINATE SYSTEM:
:FGL001: 1.ATOM   0.000000000 0.000000000 0.000000000 partial forces
:FGL002: 2.ATOM    -31.309274057   -31.309274057 0.000000000 partial forces
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