iterations/neb0_image04_iter77_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 0.371134981692E+03 0.37113E+03 -0.14318E+04 632 0.799E+02
DAV: 2 0.453393149681E+01 -0.36660E+03 -0.35379E+03 850 0.195E+02
DAV: 3 -0.954750249504E+02 -0.10001E+03 -0.99701E+02 690 0.117E+02
DAV: 4 -0.997825705671E+02 -0.43075E+01 -0.42971E+01 712 0.274E+01
DAV: 5 -0.998647581611E+02 -0.82188E-01 -0.82151E-01 728 0.342E+00 0.222E+01
DAV: 6 -0.913729698658E+02 0.84918E+01 -0.30009E+01 671 0.294E+01 0.116E+01
DAV: 7 -0.905182559168E+02 0.85471E+00 -0.17282E+00 712 0.626E+00 0.479E+00
DAV: 8 -0.901207131672E+02 0.39754E+00 -0.55369E-01 712 0.423E+00 0.165E+00
DAV: 9 -0.900265057905E+02 0.94207E-01 -0.13664E-01 712 0.171E+00 0.434E-01
DAV: 10 -0.900174581065E+02 0.90477E-02 -0.55082E-02 752 0.130E+00 0.341E-01
DAV: 11 -0.900215614484E+02 -0.41033E-02 -0.12080E-02 618 0.623E-01 0.131E-01
DAV: 12 -0.900240373829E+02 -0.24759E-02 -0.39137E-03 642 0.281E-01 0.123E-01
DAV: 13 -0.900279187814E+02 -0.38814E-02 -0.15719E-03 834 0.309E-01 0.648E-02
DAV: 14 -0.900310514672E+02 -0.31327E-02 -0.97336E-04 653 0.145E-01 0.515E-02
DAV: 15 -0.900337198648E+02 -0.26684E-02 -0.39247E-04 701 0.111E-01 0.340E-02
DAV: 16 -0.900350076086E+02 -0.12877E-02 -0.39235E-04 688 0.103E-01 0.293E-02
DAV: 17 -0.900358264552E+02 -0.81885E-03 -0.19523E-04 788 0.895E-02 0.136E-02
DAV: 18 -0.900360309063E+02 -0.20445E-03 -0.30401E-05 624 0.332E-02 0.731E-03
DAV: 19 -0.900361982664E+02 -0.16736E-03 -0.29834E-05 526 0.244E-02 0.381E-03
DAV: 20 -0.900362119747E+02 -0.13708E-04 -0.16726E-06 528 0.865E-03 0.278E-03
DAV: 21 -0.900362589282E+02 -0.46953E-04 -0.81263E-06 395 0.152E-02 0.275E-03
DAV: 22 -0.900362613430E+02 -0.24147E-05 -0.11613E-06 520 0.703E-03
1 F= -.90036261E+02 E0= -.90040560E+02 d E =0.128957E-01