iterations/neb0_image02_iter82_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 0.365319145449E+03 0.36532E+03 -0.14331E+04 632 0.799E+02
DAV: 2 0.413208977101E+01 -0.36119E+03 -0.34645E+03 834 0.195E+02
DAV: 3 -0.957151502803E+02 -0.99847E+02 -0.99517E+02 685 0.116E+02
DAV: 4 -0.100195113051E+03 -0.44800E+01 -0.44693E+01 696 0.278E+01
DAV: 5 -0.100281828779E+03 -0.86716E-01 -0.86671E-01 736 0.348E+00 0.222E+01
DAV: 6 -0.916557875088E+02 0.86260E+01 -0.31030E+01 696 0.299E+01 0.117E+01
DAV: 7 -0.908325100615E+02 0.82328E+00 -0.18370E+00 704 0.633E+00 0.484E+00
DAV: 8 -0.904444643838E+02 0.38805E+00 -0.55890E-01 688 0.427E+00 0.169E+00
DAV: 9 -0.903535296755E+02 0.90935E-01 -0.13941E-01 704 0.166E+00 0.433E-01
DAV: 10 -0.903470658478E+02 0.64638E-02 -0.48733E-02 696 0.128E+00 0.325E-01
DAV: 11 -0.903508082760E+02 -0.37424E-02 -0.75308E-03 616 0.498E-01 0.143E-01
DAV: 12 -0.903542621062E+02 -0.34538E-02 -0.72749E-03 607 0.465E-01 0.134E-01
DAV: 13 -0.903568648680E+02 -0.26028E-02 -0.15318E-03 912 0.331E-01 0.789E-02
DAV: 14 -0.903600159110E+02 -0.31510E-02 -0.14261E-03 634 0.183E-01 0.584E-02
DAV: 15 -0.903623286523E+02 -0.23127E-02 -0.38656E-04 680 0.110E-01 0.450E-02
DAV: 16 -0.903637755252E+02 -0.14469E-02 -0.71199E-04 653 0.151E-01 0.337E-02
DAV: 17 -0.903646556432E+02 -0.88012E-03 -0.17057E-04 781 0.897E-02 0.203E-02
DAV: 18 -0.903648109532E+02 -0.15531E-03 -0.47846E-05 704 0.358E-02 0.985E-03
DAV: 19 -0.903650035777E+02 -0.19262E-03 -0.32679E-05 543 0.284E-02 0.379E-03
DAV: 20 -0.903650468695E+02 -0.43292E-04 -0.37267E-06 480 0.103E-02 0.468E-03
DAV: 21 -0.903650943126E+02 -0.47443E-04 -0.64179E-06 417 0.145E-02 0.343E-03
DAV: 22 -0.903651075357E+02 -0.13223E-04 -0.38459E-06 477 0.108E-02 0.227E-03
DAV: 23 -0.903651088719E+02 -0.13362E-05 -0.16924E-06 544 0.777E-03
1 F= -.90365109E+02 E0= -.90370658E+02 d E =0.166486E-01