./iterations/neb0_image05_iter250_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 0.367179526816E+03 0.36718E+03 -0.14299E+04 624 0.799E+02
DAV: 2 0.383396654236E+01 -0.36335E+03 -0.34910E+03 845 0.195E+02
DAV: 3 -0.956321098374E+02 -0.99466E+02 -0.99126E+02 680 0.116E+02
DAV: 4 -0.100126494717E+03 -0.44944E+01 -0.44821E+01 696 0.281E+01
DAV: 5 -0.100212640804E+03 -0.86146E-01 -0.86103E-01 736 0.351E+00 0.221E+01
DAV: 6 -0.916057686650E+02 0.86069E+01 -0.31151E+01 704 0.300E+01 0.116E+01
DAV: 7 -0.907885467419E+02 0.81722E+00 -0.17519E+00 728 0.623E+00 0.482E+00
DAV: 8 -0.904116875367E+02 0.37686E+00 -0.53637E-01 728 0.425E+00 0.167E+00
DAV: 9 -0.903236086137E+02 0.88079E-01 -0.12890E-01 720 0.169E+00 0.432E-01
DAV: 10 -0.903159069973E+02 0.77016E-02 -0.41953E-02 720 0.115E+00 0.325E-01
DAV: 11 -0.903186549165E+02 -0.27479E-02 -0.53235E-03 608 0.483E-01 0.153E-01
DAV: 12 -0.903213823122E+02 -0.27274E-02 -0.68840E-03 616 0.471E-01 0.138E-01
DAV: 13 -0.903232752709E+02 -0.18930E-02 -0.14824E-03 752 0.252E-01 0.896E-02
DAV: 14 -0.903278049967E+02 -0.45297E-02 -0.27768E-03 614 0.310E-01 0.754E-02
DAV: 15 -0.903300493682E+02 -0.22444E-02 -0.36002E-04 712 0.125E-01 0.567E-02
DAV: 16 -0.903323622651E+02 -0.23129E-02 -0.11722E-03 661 0.205E-01 0.370E-02
DAV: 17 -0.903331837288E+02 -0.82146E-03 -0.15781E-04 704 0.870E-02 0.300E-02
DAV: 18 -0.903335251872E+02 -0.34146E-03 -0.89200E-05 664 0.533E-02 0.140E-02
DAV: 19 -0.903339550770E+02 -0.42989E-03 -0.69457E-05 641 0.386E-02 0.621E-03
DAV: 20 -0.903340242152E+02 -0.69138E-04 -0.66014E-06 504 0.164E-02 0.510E-03
DAV: 21 -0.903340978594E+02 -0.73644E-04 -0.13109E-05 411 0.189E-02 0.520E-03
DAV: 22 -0.903341119511E+02 -0.14092E-04 -0.40438E-06 488 0.142E-02 0.359E-03
DAV: 23 -0.903341174600E+02 -0.55089E-05 -0.56143E-06 420 0.139E-02
1 F= -.90334117E+02 E0= -.90342619E+02 d E =0.255036E-01