./iterations/neb0_image09_iter256_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 0.374145471859E+03 0.37415E+03 -0.14281E+04 624 0.799E+02
DAV: 2 0.329448473175E+01 -0.37085E+03 -0.35820E+03 869 0.196E+02
DAV: 3 -0.966650118484E+02 -0.99959E+02 -0.99631E+02 653 0.117E+02
DAV: 4 -0.101281262964E+03 -0.46163E+01 -0.46054E+01 720 0.291E+01
DAV: 5 -0.101372414646E+03 -0.91152E-01 -0.91113E-01 728 0.370E+00 0.227E+01
DAV: 6 -0.926816259678E+02 0.86908E+01 -0.31007E+01 728 0.301E+01 0.119E+01
DAV: 7 -0.918113700831E+02 0.87026E+00 -0.17192E+00 720 0.613E+00 0.479E+00
DAV: 8 -0.914357029001E+02 0.37567E+00 -0.54180E-01 712 0.394E+00 0.163E+00
DAV: 9 -0.913543575823E+02 0.81345E-01 -0.13239E-01 712 0.155E+00 0.422E-01
DAV: 10 -0.913461906873E+02 0.81669E-02 -0.44296E-02 760 0.108E+00 0.301E-01
DAV: 11 -0.913507380722E+02 -0.45474E-02 -0.12593E-02 608 0.584E-01 0.139E-01
DAV: 12 -0.913538310564E+02 -0.30930E-02 -0.27853E-03 623 0.233E-01 0.108E-01
DAV: 13 -0.913574165363E+02 -0.35855E-02 -0.16594E-03 677 0.216E-01 0.424E-02
DAV: 14 -0.913608373462E+02 -0.34208E-02 -0.62313E-04 656 0.144E-01 0.297E-02
DAV: 15 -0.913620348042E+02 -0.11975E-02 -0.11371E-04 720 0.667E-02 0.287E-02
DAV: 16 -0.913634531469E+02 -0.14183E-02 -0.34114E-04 642 0.980E-02 0.205E-02
DAV: 17 -0.913637186964E+02 -0.26555E-03 -0.44939E-05 688 0.502E-02 0.132E-02
DAV: 18 -0.913639307497E+02 -0.21205E-03 -0.50419E-05 637 0.369E-02 0.978E-03
DAV: 19 -0.913640462870E+02 -0.11554E-03 -0.10226E-05 448 0.186E-02 0.489E-03
DAV: 20 -0.913640839547E+02 -0.37668E-04 -0.10391E-05 472 0.179E-02 0.212E-03
DAV: 21 -0.913641021112E+02 -0.18157E-04 -0.30148E-06 437 0.853E-03 0.199E-03
DAV: 22 -0.913641075837E+02 -0.54725E-05 -0.94095E-07 480 0.434E-03
1 F= -.91364108E+02 E0= -.91368894E+02 d E =0.143581E-01