iterations/neb0_image02_iter286_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 0.365572871683E+03 0.36557E+03 -0.14297E+04 624 0.799E+02
DAV: 2 0.152378085928E+01 -0.36405E+03 -0.35229E+03 861 0.196E+02
DAV: 3 -0.956116223415E+02 -0.97135E+02 -0.96801E+02 640 0.116E+02
DAV: 4 -0.100251731326E+03 -0.46401E+01 -0.46294E+01 704 0.294E+01
DAV: 5 -0.100343841763E+03 -0.92110E-01 -0.92074E-01 720 0.372E+00 0.222E+01
DAV: 6 -0.916686705478E+02 0.86752E+01 -0.30928E+01 688 0.300E+01 0.117E+01
DAV: 7 -0.908476677322E+02 0.82100E+00 -0.18208E+00 712 0.635E+00 0.485E+00
DAV: 8 -0.904694581473E+02 0.37821E+00 -0.54608E-01 704 0.428E+00 0.170E+00
DAV: 9 -0.903858696788E+02 0.83588E-01 -0.12961E-01 720 0.183E+00 0.430E-01
DAV: 10 -0.903819552352E+02 0.39144E-02 -0.45051E-02 709 0.117E+00 0.331E-01
DAV: 11 -0.903865684591E+02 -0.46132E-02 -0.10785E-02 661 0.782E-01 0.133E-01
DAV: 12 -0.903884263714E+02 -0.18579E-02 -0.56513E-03 637 0.392E-01 0.122E-01
DAV: 13 -0.903915654681E+02 -0.31391E-02 -0.25947E-03 661 0.344E-01 0.849E-02
DAV: 14 -0.903947527554E+02 -0.31873E-02 -0.12086E-03 631 0.172E-01 0.685E-02
DAV: 15 -0.903961654768E+02 -0.14127E-02 -0.31731E-04 752 0.123E-01 0.349E-02
DAV: 16 -0.903979365697E+02 -0.17711E-02 -0.68683E-04 720 0.170E-01 0.387E-02
DAV: 17 -0.903984239282E+02 -0.48736E-03 -0.18138E-04 840 0.104E-01 0.226E-02
DAV: 18 -0.903985593613E+02 -0.13543E-03 -0.45373E-05 712 0.364E-02 0.143E-02
DAV: 19 -0.903988571410E+02 -0.29778E-03 -0.48031E-05 590 0.398E-02 0.675E-03
DAV: 20 -0.903989512007E+02 -0.94060E-04 -0.10329E-05 480 0.164E-02 0.546E-03
DAV: 21 -0.903989946711E+02 -0.43470E-04 -0.62137E-06 453 0.147E-02 0.305E-03
DAV: 22 -0.903990222750E+02 -0.27604E-04 -0.91782E-06 442 0.181E-02 0.439E-03
DAV: 23 -0.903990266724E+02 -0.43974E-05 -0.15275E-06 504 0.877E-03
1 F= -.90399027E+02 E0= -.90406977E+02 d E =0.238505E-01