iterations/neb0_image08_iter201_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 0.373475107846E+03 0.37348E+03 -0.14278E+04 624 0.799E+02
DAV: 2 0.351432411489E+01 -0.36996E+03 -0.35757E+03 869 0.196E+02
DAV: 3 -0.966918724801E+02 -0.10021E+03 -0.99899E+02 669 0.116E+02
DAV: 4 -0.101234620148E+03 -0.45427E+01 -0.45300E+01 720 0.287E+01
DAV: 5 -0.101323144382E+03 -0.88524E-01 -0.88470E-01 720 0.363E+00 0.227E+01
DAV: 6 -0.926454821129E+02 0.86777E+01 -0.31059E+01 720 0.301E+01 0.119E+01
DAV: 7 -0.917888719579E+02 0.85661E+00 -0.17398E+00 720 0.615E+00 0.479E+00
DAV: 8 -0.914151814638E+02 0.37369E+00 -0.53741E-01 720 0.393E+00 0.162E+00
DAV: 9 -0.913342133210E+02 0.80968E-01 -0.13221E-01 728 0.155E+00 0.419E-01
DAV: 10 -0.913262477970E+02 0.79655E-02 -0.44886E-02 768 0.108E+00 0.302E-01
DAV: 11 -0.913310793002E+02 -0.48315E-02 -0.13633E-02 616 0.611E-01 0.148E-01
DAV: 12 -0.913339057039E+02 -0.28264E-02 -0.27806E-03 625 0.239E-01 0.105E-01
DAV: 13 -0.913375236725E+02 -0.36180E-02 -0.20095E-03 634 0.231E-01 0.479E-02
DAV: 14 -0.913410129846E+02 -0.34893E-02 -0.89816E-04 661 0.185E-01 0.345E-02
DAV: 15 -0.913419504072E+02 -0.93742E-03 -0.20267E-04 704 0.881E-02 0.268E-02
DAV: 16 -0.913428923113E+02 -0.94190E-03 -0.19757E-04 698 0.862E-02 0.129E-02
DAV: 17 -0.913435747474E+02 -0.68244E-03 -0.61957E-05 653 0.376E-02 0.142E-02
DAV: 18 -0.913438041899E+02 -0.22944E-03 -0.28314E-05 592 0.274E-02 0.798E-03
DAV: 19 -0.913439337550E+02 -0.12957E-03 -0.28439E-05 530 0.274E-02 0.516E-03
DAV: 20 -0.913439479604E+02 -0.14205E-04 -0.23663E-06 520 0.108E-02 0.354E-03
DAV: 21 -0.913439675830E+02 -0.19623E-04 -0.78617E-06 395 0.175E-02 0.293E-03
DAV: 22 -0.913439696859E+02 -0.21029E-05 -0.11757E-06 504 0.866E-03
1 F= -.91343970E+02 E0= -.91349114E+02 d E =0.154339E-01