[Pw_forum] ATOMIC_POSITIONS after 'final coordinates'

[Xijun Wang]

Hi, dear espressors,

I'm new to espresso (switching from CPMD) and I have a simple question
regarding to the output file of a relax calculation.

There is an extra "ATOMIC_POSITIONS" section after the "final
coordinates". It is neither the final coordinates, nor the starting
coordinates, nor cystal coordinates. What's that? See below the output
file. I'd appreciate it if someone can tell me where to find the
explanation to the output file in the manual. I have searched the
maillist and manual online but find no answer.

Xijun Wang
--
Department of Chemistry and Biochemistry, Concordia University
7141 Sherbrooke Ouest, Montreal, QC, Canada (H4B 1R6)
Tel: 514-848-2424-#5835 (Lab) TA office: SP175.23

*** output file of the relaxation calculation ***
-------------------------------------------------------------------------
...
     Damped Dynamics: convergence achieved in  11 steps
     End of damped dynamics calculation
     Final energy =   -3499.4924725209 Ry
Begin final coordinates
     new unit-cell volume =   5281.07728 a.u.^3 (   782.57490 Ang^3 )
CELL_PARAMETERS (alat= 19.96079920)
   1.000000000   0.000000000   0.000000000
   0.000000000   0.591661302   0.000000000
  -0.254163181   0.000000000   1.122317102
ATOMIC_POSITIONS (angstrom)
Zr      -0.000121009   0.000000000   0.000048982
Zr       0.050917464   0.000000000   6.659231281
...
End final coordinates


     Entering Dynamics:    iteration =    11
     <vel(dt)|acc(dt)> =   0.78384260
ATOMIC_POSITIONS (angstrom)
Zr       0.000033474   0.000000000   0.000130486
Zr       0.050452867   0.000000000   6.659368418
...

     Writing output data file rx.damp.save
...