iterations/neb0_image09_iter130_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 0.374356493529E+03 0.37436E+03 -0.14280E+04 624 0.799E+02
DAV: 2 0.244453734305E+01 -0.37191E+03 -0.35962E+03 877 0.196E+02
DAV: 3 -0.966919379939E+02 -0.99136E+02 -0.98800E+02 656 0.116E+02
DAV: 4 -0.101229529352E+03 -0.45376E+01 -0.45280E+01 704 0.289E+01
DAV: 5 -0.101319115601E+03 -0.89586E-01 -0.89547E-01 736 0.367E+00 0.227E+01
DAV: 6 -0.926696338450E+02 0.86495E+01 -0.30873E+01 693 0.301E+01 0.119E+01
DAV: 7 -0.918052272742E+02 0.86441E+00 -0.17066E+00 728 0.615E+00 0.480E+00
DAV: 8 -0.914288137768E+02 0.37641E+00 -0.54338E-01 712 0.396E+00 0.163E+00
DAV: 9 -0.913468046121E+02 0.82009E-01 -0.13075E-01 712 0.155E+00 0.424E-01
DAV: 10 -0.913380586172E+02 0.87460E-02 -0.45634E-02 776 0.112E+00 0.304E-01
DAV: 11 -0.913424739723E+02 -0.44154E-02 -0.12929E-02 624 0.592E-01 0.142E-01
DAV: 12 -0.913454416299E+02 -0.29677E-02 -0.29530E-03 629 0.244E-01 0.110E-01
DAV: 13 -0.913492241065E+02 -0.37825E-02 -0.14483E-03 677 0.207E-01 0.439E-02
DAV: 14 -0.913526141828E+02 -0.33901E-02 -0.64284E-04 672 0.142E-01 0.345E-02
DAV: 15 -0.913539124510E+02 -0.12983E-02 -0.13165E-04 704 0.753E-02 0.337E-02
DAV: 16 -0.913553342304E+02 -0.14218E-02 -0.35993E-04 644 0.958E-02 0.197E-02
DAV: 17 -0.913556551960E+02 -0.32097E-03 -0.62297E-05 712 0.587E-02 0.117E-02
DAV: 18 -0.913559025787E+02 -0.24738E-03 -0.43005E-05 562 0.295E-02 0.109E-02
DAV: 19 -0.913559869012E+02 -0.84322E-04 -0.98255E-06 480 0.179E-02 0.531E-03
DAV: 20 -0.913560189128E+02 -0.32012E-04 -0.11254E-05 448 0.217E-02 0.250E-03
DAV: 21 -0.913560367329E+02 -0.17820E-04 -0.33941E-06 450 0.906E-03 0.285E-03
DAV: 22 -0.913560418664E+02 -0.51335E-05 -0.82197E-07 450 0.526E-03
1 F= -.91356042E+02 E0= -.91360832E+02 d E =0.143711E-01