iterations/neb0_image04_iter218_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 0.368512902706E+03 0.36851E+03 -0.14293E+04 624 0.799E+02
DAV: 2 0.168328387114E+01 -0.36683E+03 -0.35522E+03 869 0.195E+02
DAV: 3 -0.960336470388E+02 -0.97717E+02 -0.97426E+02 661 0.116E+02
DAV: 4 -0.100311446785E+03 -0.42778E+01 -0.42689E+01 704 0.279E+01
DAV: 5 -0.100394817060E+03 -0.83370E-01 -0.83336E-01 736 0.349E+00 0.224E+01
DAV: 6 -0.916792520210E+02 0.87156E+01 -0.31176E+01 690 0.299E+01 0.117E+01
DAV: 7 -0.908117896107E+02 0.86746E+00 -0.17775E+00 712 0.647E+00 0.484E+00
DAV: 8 -0.903980427662E+02 0.41375E+00 -0.55116E-01 696 0.447E+00 0.175E+00
DAV: 9 -0.903064595850E+02 0.91583E-01 -0.15411E-01 728 0.199E+00 0.537E-01
DAV: 10 -0.902940022985E+02 0.12457E-01 -0.34803E-02 696 0.985E-01 0.341E-01
DAV: 11 -0.902957167652E+02 -0.17145E-02 -0.10413E-02 717 0.514E-01 0.201E-01
DAV: 12 -0.902989684091E+02 -0.32516E-02 -0.27646E-03 629 0.387E-01 0.130E-01
DAV: 13 -0.903021519501E+02 -0.31835E-02 -0.17297E-03 625 0.305E-01 0.105E-01
DAV: 14 -0.903063458194E+02 -0.41939E-02 -0.26121E-03 678 0.310E-01 0.564E-02
DAV: 15 -0.903077398174E+02 -0.13940E-02 -0.31938E-04 696 0.108E-01 0.444E-02
DAV: 16 -0.903105391807E+02 -0.27994E-02 -0.11424E-03 716 0.225E-01 0.478E-02
DAV: 17 -0.903110839659E+02 -0.54479E-03 -0.16621E-04 680 0.887E-02 0.383E-02
DAV: 18 -0.903116686966E+02 -0.58473E-03 -0.21516E-04 719 0.849E-02 0.124E-02
DAV: 19 -0.903121193976E+02 -0.45070E-03 -0.82999E-05 722 0.506E-02 0.118E-02
DAV: 20 -0.903123151936E+02 -0.19580E-03 -0.14384E-05 474 0.166E-02 0.104E-02
DAV: 21 -0.903123966693E+02 -0.81476E-04 -0.13212E-05 480 0.208E-02 0.390E-03
DAV: 22 -0.903124430602E+02 -0.46391E-04 -0.14621E-05 444 0.205E-02 0.411E-03
DAV: 23 -0.903124488983E+02 -0.58381E-05 -0.19346E-06 512 0.721E-03
1 F= -.90312449E+02 E0= -.90320736E+02 d E =0.248619E-01