iterations/neb0_image07_iter213_OSZICAR.out output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.370689764805E+03 0.37069E+03 -0.14320E+04 632 0.799E+02
DAV: 2 0.361455668955E+01 -0.36708E+03 -0.35504E+03 869 0.194E+02
DAV: 3 -0.966637445978E+02 -0.10028E+03 -0.99984E+02 704 0.116E+02
DAV: 4 -0.101068853580E+03 -0.44051E+01 -0.43934E+01 704 0.273E+01
DAV: 5 -0.101156733105E+03 -0.87880E-01 -0.87826E-01 736 0.345E+00 0.226E+01
DAV: 6 -0.925664156683E+02 0.85903E+01 -0.30752E+01 717 0.298E+01 0.118E+01
DAV: 7 -0.917238345541E+02 0.84258E+00 -0.17379E+00 712 0.619E+00 0.479E+00
DAV: 8 -0.913513968653E+02 0.37244E+00 -0.54186E-01 736 0.397E+00 0.162E+00
DAV: 9 -0.912703600820E+02 0.81037E-01 -0.12949E-01 720 0.155E+00 0.420E-01
DAV: 10 -0.912617138755E+02 0.86462E-02 -0.39866E-02 736 0.102E+00 0.285E-01
DAV: 11 -0.912661259832E+02 -0.44121E-02 -0.11219E-02 616 0.554E-01 0.142E-01
DAV: 12 -0.912690183038E+02 -0.28923E-02 -0.23020E-03 632 0.242E-01 0.929E-02
DAV: 13 -0.912729482248E+02 -0.39299E-02 -0.16789E-03 634 0.206E-01 0.515E-02
DAV: 14 -0.912755794042E+02 -0.26312E-02 -0.57228E-04 789 0.188E-01 0.346E-02
DAV: 15 -0.912776045948E+02 -0.20252E-02 -0.35978E-04 650 0.958E-02 0.315E-02
DAV: 16 -0.912785360082E+02 -0.93141E-03 -0.14613E-04 760 0.775E-02 0.141E-02
DAV: 17 -0.912793140444E+02 -0.77804E-03 -0.11116E-04 717 0.534E-02 0.141E-02
DAV: 18 -0.912795243091E+02 -0.21026E-03 -0.15608E-05 496 0.256E-02 0.911E-03
DAV: 19 -0.912796724270E+02 -0.14812E-03 -0.45796E-05 612 0.375E-02 0.786E-03
DAV: 20 -0.912796963128E+02 -0.23886E-04 -0.56337E-06 504 0.228E-02 0.325E-03
DAV: 21 -0.912797111712E+02 -0.14858E-04 -0.47168E-06 426 0.114E-02 0.115E-03
DAV: 22 -0.912797279802E+02 -0.16809E-04 -0.23206E-06 425 0.691E-03 0.117E-03
DAV: 23 -0.912797302976E+02 -0.23174E-05 -0.71030E-07 488 0.376E-03
1 F= -.91279730E+02 E0= -.91285145E+02 d E =0.162448E-01