./iterations/neb0_image08_iter77_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 0.376550205699E+03 0.37655E+03 -0.14284E+04 624 0.799E+02
DAV: 2 0.383610019504E+01 -0.37271E+03 -0.35922E+03 869 0.196E+02
DAV: 3 -0.968426476336E+02 -0.10068E+03 -0.10035E+03 696 0.117E+02
DAV: 4 -0.101145077430E+03 -0.43024E+01 -0.42927E+01 696 0.272E+01
DAV: 5 -0.101229157498E+03 -0.84080E-01 -0.84045E-01 728 0.340E+00 0.228E+01
DAV: 6 -0.925825744103E+02 0.86466E+01 -0.30819E+01 693 0.302E+01 0.119E+01
DAV: 7 -0.917096739079E+02 0.87290E+00 -0.16940E+00 728 0.615E+00 0.481E+00
DAV: 8 -0.913288152279E+02 0.38086E+00 -0.55573E-01 704 0.402E+00 0.163E+00
DAV: 9 -0.912452716722E+02 0.83544E-01 -0.13032E-01 712 0.155E+00 0.426E-01
DAV: 10 -0.912358390060E+02 0.94327E-02 -0.47956E-02 728 0.113E+00 0.311E-01
DAV: 11 -0.912406309534E+02 -0.47919E-02 -0.14713E-02 624 0.627E-01 0.160E-01
DAV: 12 -0.912435544864E+02 -0.29235E-02 -0.32861E-03 615 0.252E-01 0.132E-01
DAV: 13 -0.912474049990E+02 -0.38505E-02 -0.22195E-03 733 0.270E-01 0.477E-02
DAV: 14 -0.912505050823E+02 -0.31001E-02 -0.50368E-04 656 0.113E-01 0.388E-02
DAV: 15 -0.912526368744E+02 -0.21318E-02 -0.18813E-04 653 0.643E-02 0.365E-02
DAV: 16 -0.912536843066E+02 -0.10474E-02 -0.35693E-04 658 0.944E-02 0.222E-02
DAV: 17 -0.912539429121E+02 -0.25861E-03 -0.43167E-05 648 0.470E-02 0.146E-02
DAV: 18 -0.912542053709E+02 -0.26246E-03 -0.57971E-05 620 0.354E-02 0.104E-02
DAV: 19 -0.912542425700E+02 -0.37199E-04 -0.70654E-06 512 0.234E-02 0.477E-03
DAV: 20 -0.912542772981E+02 -0.34728E-04 -0.12653E-05 407 0.209E-02 0.404E-03
DAV: 21 -0.912542984364E+02 -0.21138E-04 -0.27859E-06 461 0.808E-03 0.348E-03
DAV: 22 -0.912543059744E+02 -0.75380E-05 -0.19792E-06 418 0.997E-03
1 F= -.91254306E+02 E0= -.91259484E+02 d E =0.155335E-01