iterations/neb0_image05_iter219_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 0.367585469772E+03 0.36759E+03 -0.14298E+04 624 0.799E+02
DAV: 2 0.322936508341E+01 -0.36436E+03 -0.35103E+03 856 0.195E+02
DAV: 3 -0.955830736107E+02 -0.98812E+02 -0.98475E+02 677 0.116E+02
DAV: 4 -0.100018223940E+03 -0.44352E+01 -0.44253E+01 704 0.280E+01
DAV: 5 -0.100106367556E+03 -0.88144E-01 -0.88104E-01 720 0.350E+00 0.221E+01
DAV: 6 -0.915749922317E+02 0.85314E+01 -0.30861E+01 688 0.299E+01 0.116E+01
DAV: 7 -0.907529111678E+02 0.82208E+00 -0.17187E+00 720 0.626E+00 0.482E+00
DAV: 8 -0.903758454330E+02 0.37707E+00 -0.55742E-01 712 0.429E+00 0.163E+00
DAV: 9 -0.902934627611E+02 0.82383E-01 -0.13007E-01 728 0.166E+00 0.433E-01
DAV: 10 -0.902868613394E+02 0.66014E-02 -0.43846E-02 736 0.122E+00 0.313E-01
DAV: 11 -0.902901878887E+02 -0.33265E-02 -0.67790E-03 616 0.534E-01 0.134E-01
DAV: 12 -0.902928959498E+02 -0.27081E-02 -0.63698E-03 616 0.466E-01 0.121E-01
DAV: 13 -0.902956768774E+02 -0.27809E-02 -0.14473E-03 869 0.291E-01 0.781E-02
DAV: 14 -0.902989300865E+02 -0.32532E-02 -0.13905E-03 631 0.162E-01 0.557E-02
DAV: 15 -0.903012230233E+02 -0.22929E-02 -0.38245E-04 696 0.117E-01 0.384E-02
DAV: 16 -0.903031084660E+02 -0.18854E-02 -0.70443E-04 661 0.149E-01 0.349E-02
DAV: 17 -0.903037927903E+02 -0.68432E-03 -0.15427E-04 904 0.904E-02 0.187E-02
DAV: 18 -0.903039220952E+02 -0.12930E-03 -0.55298E-05 696 0.385E-02 0.954E-03
DAV: 19 -0.903042052996E+02 -0.28320E-03 -0.49063E-05 545 0.344E-02 0.879E-03
DAV: 20 -0.903042550724E+02 -0.49773E-04 -0.50920E-06 488 0.168E-02 0.633E-03
DAV: 21 -0.903042934701E+02 -0.38398E-04 -0.19754E-05 490 0.262E-02 0.446E-03
DAV: 22 -0.903043082422E+02 -0.14772E-04 -0.45917E-06 480 0.156E-02 0.249E-03
DAV: 23 -0.903043105579E+02 -0.23157E-05 -0.16481E-06 482 0.684E-03
1 F= -.90304311E+02 E0= -.90309492E+02 d E =0.155457E-01