Hi everyone...
I have a problem with one of my output file ,as I am getting these line in my output..
Step Energy Delta E Gmax Grms Xrms Xmax Walltime
---- ---------------- -------- -------- -------- -------- -------- --------
@ 1 -3899.37653490 -4.7D-01 0.16564 0.03852 0.16157 0.57836 323559.4
Restricting large step in mode 1 eval= 9.1D-03 step=-2.1D+00 new=-3.0D-01
Restricting large step in mode 5 eval= 5.8D-02 step= 3.3D-01 new= 3.0D-01
Restricting large step in mode 7 eval= 6.6D-02 step= 3.2D-01 new= 3.0D-01
Restricting large step in mode 8 eval= 7.3D-02 step= 5.4D-01 new= 3.0D-01
Restricting large step in mode 9 eval= 7.6D-02 step= 3.7D-01 new= 3.0D-01
Restricting large step in mode 10 eval= 8.3D-02 step= 4.9D-01 new= 3.0D-01
Restricting large step in mode 16 eval= 1.1D-01 step= 4.4D-01 new= 3.0D-01
Restricting large step in mode 26 eval= 1.6D-01 step= 3.1D-01 new= 3.0D-01
Restricting large step in mode 34 eval= 2.0D-01 step=-3.5D-01 new=-3.0D-01
Restricting large step in mode 42 eval= 2.3D-01 step= 5.8D-01 new= 3.0D-01
Restricting large step in mode 43 eval= 2.5D-01 step=-7.7D-01 new=-3.0D-01
Restricting large step in mode 46 eval= 2.7D-01 step= 3.2D-01 new= 3.0D-01
Restricting large step in mode 48 eval= 3.0D-01 step=-3.1D-01 new=-3.0D-01
Restricting overall step due to large component. alpha= 0.66
Please guide me , As I have no idea about these lines .....
I would appreciate some help...
Thanks and Regards
Lovika
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