./iterations/neb0_image04_iter290_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 0.364994086767E+03 0.36499E+03 -0.14302E+04 624 0.799E+02
DAV: 2 0.144219401624E+00 -0.36485E+03 -0.35420E+03 869 0.195E+02
DAV: 3 -0.959963862351E+02 -0.96141E+02 -0.95846E+02 656 0.115E+02
DAV: 4 -0.100310170588E+03 -0.43138E+01 -0.43061E+01 720 0.280E+01
DAV: 5 -0.100395243505E+03 -0.85073E-01 -0.85047E-01 728 0.350E+00 0.223E+01
DAV: 6 -0.916630233316E+02 0.87322E+01 -0.31599E+01 680 0.301E+01 0.117E+01
DAV: 7 -0.908336575547E+02 0.82937E+00 -0.18229E+00 720 0.650E+00 0.484E+00
DAV: 8 -0.904278941649E+02 0.40576E+00 -0.53377E-01 704 0.445E+00 0.180E+00
DAV: 9 -0.903349457689E+02 0.92948E-01 -0.15735E-01 704 0.207E+00 0.546E-01
DAV: 10 -0.903223929818E+02 0.12553E-01 -0.34098E-02 720 0.995E-01 0.336E-01
DAV: 11 -0.903241367454E+02 -0.17438E-02 -0.11595E-02 704 0.547E-01 0.216E-01
DAV: 12 -0.903269431974E+02 -0.28065E-02 -0.28249E-03 677 0.449E-01 0.136E-01
DAV: 13 -0.903300937428E+02 -0.31505E-02 -0.23662E-03 642 0.338E-01 0.112E-01
DAV: 14 -0.903329523995E+02 -0.28587E-02 -0.16085E-03 685 0.260E-01 0.512E-02
DAV: 15 -0.903359236289E+02 -0.29712E-02 -0.82262E-04 647 0.134E-01 0.499E-02
DAV: 16 -0.903379597522E+02 -0.20361E-02 -0.53131E-04 789 0.168E-01 0.262E-02
DAV: 17 -0.903391595386E+02 -0.11998E-02 -0.20286E-04 669 0.680E-02 0.289E-02
DAV: 18 -0.903397260667E+02 -0.56653E-03 -0.80968E-05 716 0.609E-02 0.133E-02
DAV: 19 -0.903401379850E+02 -0.41192E-03 -0.12453E-04 638 0.653E-02 0.154E-02
DAV: 20 -0.903402005334E+02 -0.62548E-04 -0.92455E-06 520 0.274E-02 0.953E-03
DAV: 21 -0.903402638742E+02 -0.63341E-04 -0.42355E-05 592 0.375E-02 0.675E-03
DAV: 22 -0.903402934095E+02 -0.29535E-04 -0.67500E-06 472 0.244E-02 0.190E-03
DAV: 23 -0.903403015398E+02 -0.81303E-05 -0.51193E-06 490 0.111E-02
1 F= -.90340302E+02 E0= -.90348577E+02 d E =0.248254E-01