./iterations/neb0_image08_iter279_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 0.374442625643E+03 0.37444E+03 -0.14285E+04 624 0.799E+02
DAV: 2 0.336604633518E+01 -0.37108E+03 -0.35969E+03 877 0.196E+02
DAV: 3 -0.965381454962E+02 -0.99904E+02 -0.99577E+02 656 0.116E+02
DAV: 4 -0.101233035818E+03 -0.46949E+01 -0.46841E+01 712 0.294E+01
DAV: 5 -0.101325546607E+03 -0.92511E-01 -0.92472E-01 720 0.374E+00 0.227E+01
DAV: 6 -0.926598793612E+02 0.86657E+01 -0.30803E+01 709 0.299E+01 0.119E+01
DAV: 7 -0.917882438494E+02 0.87164E+00 -0.16945E+00 728 0.612E+00 0.480E+00
DAV: 8 -0.914125073576E+02 0.37574E+00 -0.55373E-01 728 0.402E+00 0.160E+00
DAV: 9 -0.913336771167E+02 0.78830E-01 -0.12821E-01 728 0.153E+00 0.421E-01
DAV: 10 -0.913252892703E+02 0.83878E-02 -0.45157E-02 728 0.108E+00 0.306E-01
DAV: 11 -0.913301471309E+02 -0.48579E-02 -0.14161E-02 608 0.608E-01 0.154E-01
DAV: 12 -0.913331898754E+02 -0.30427E-02 -0.29345E-03 634 0.232E-01 0.114E-01
DAV: 13 -0.913369768016E+02 -0.37869E-02 -0.27085E-03 647 0.276E-01 0.574E-02
DAV: 14 -0.913400771271E+02 -0.31003E-02 -0.83088E-04 664 0.166E-01 0.249E-02
DAV: 15 -0.913415361904E+02 -0.14591E-02 -0.16019E-04 672 0.644E-02 0.186E-02
DAV: 16 -0.913426084418E+02 -0.10723E-02 -0.17941E-04 650 0.806E-02 0.138E-02
DAV: 17 -0.913429569621E+02 -0.34852E-03 -0.34659E-05 680 0.327E-02 0.118E-02
DAV: 18 -0.913430631559E+02 -0.10619E-03 -0.16254E-05 504 0.264E-02 0.635E-03
DAV: 19 -0.913432217815E+02 -0.15863E-03 -0.23823E-05 500 0.207E-02 0.379E-03
DAV: 20 -0.913432403575E+02 -0.18576E-04 -0.17516E-06 520 0.767E-03 0.265E-03
DAV: 21 -0.913432640375E+02 -0.23680E-04 -0.54271E-06 406 0.148E-02 0.247E-03
DAV: 22 -0.913432667336E+02 -0.26961E-05 -0.11013E-06 501 0.643E-03
1 F= -.91343267E+02 E0= -.91348005E+02 d E =0.142155E-01