[ase-users] Relaxation of structure

[Abid Channa]

Hello ASE users,
I am relaxing my structure and it fully optimised according to my choice. After giving my script I am getting  False some thing like below and then it start  
 
-bash-4.2$ python relax.py 
[False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False, False]
 
                Step[ FC]     Time          Energy          fmax

*Force-consistent energies used in optimization.

BFGSLineSearch:    0[  0] 16:09:40       25.143031*       1.9155

BFGSLineSearch:    1[  1] 16:09:40       23.464833*       0.5100

BFGSLineSearch:    2[  2] 16:09:40       23.283974*       0.4838

BFGSLineSearch:    3[  3] 16:09:40       23.171580*       0.0858

BFGSLineSearch:    4[  4] 16:09:40       23.112214*       0.0767

BFGSLineSearch:    5[  5] 16:09:41       23.092067*       0.0710

BFGSLineSearch:    6[  6] 16:09:41       23.079306*       0.0298

BFGSLineSearch:    7[  7] 16:09:41       23.073434*       0.0230

BFGSLineSearch:    8[  8] 16:09:41       23.069540*       0.0267

BFGSLineSearch:    9[  9] 16:09:41       23.067205*       0.0181

BFGSLineSearch:   10[ 10] 16:09:41       23.065940*       0.0104

BFGSLineSearch:   11[ 11] 16:09:42       23.065366*       0.0080

BFGSLineSearch:   12[ 12] 16:09:42       23.064974*       0.0093

BFGSLineSearch:   13[ 13] 16:09:42       23.064721*       0.0080

BFGSLineSearch:   14[ 14] 16:09:42       23.064599*       0.0047

BFGSLineSearch:   15[ 15] 16:09:42       23.064538*       0.0024

BFGSLineSearch:   16[ 17] 16:09:42       23.064473*       0.0029

BFGSLineSearch:   17[ 19] 16:09:43       23.064396*       0.0020

BFGSLineSearch:   18[ 21] 16:09:43       23.064344*       0.0020

BFGSLineSearch:   19[ 23] 16:09:43       23.064317*       0.0019

BFGSLineSearch:   20[ 25] 16:09:43       23.064292*       0.0020

BFGSLineSearch:   21[ 27] 16:09:44       23.064284*       0.0014

BFGSLineSearch:   22[ 29] 16:09:44       23.064281*       0.0010

BFGSLineSearch:   23[ 31] 16:09:44       23.064279*       0.0012

BFGSLineSearch:   24[ 33] 16:09:44       23.064277*       0.0004

Could some one explain what is this ? Is this for periodic boundary conditions but I have already described in script pbc as fixed like pbc=True 
Best,
_________________________________
                    ABID ALI                    
PhD (Marie Curie-ITN) FellowTheoretical Chemistry           
Dunhagi 3, VR-II1, Science Institute, 107 Reykjavik University of Iceland.Mobile : +3547835935
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