iterations/neb0_image03_iter177_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 0.364176430102E+03 0.36418E+03 -0.14323E+04 632 0.799E+02
DAV: 2 0.173781033710E+00 -0.36400E+03 -0.35393E+03 855 0.195E+02
DAV: 3 -0.960901520114E+02 -0.96264E+02 -0.95955E+02 672 0.115E+02
DAV: 4 -0.100257280314E+03 -0.41671E+01 -0.41556E+01 720 0.275E+01
DAV: 5 -0.100338514374E+03 -0.81234E-01 -0.81198E-01 736 0.346E+00 0.222E+01
DAV: 6 -0.917186509633E+02 0.86199E+01 -0.30960E+01 672 0.299E+01 0.117E+01
DAV: 7 -0.908770305654E+02 0.84162E+00 -0.18048E+00 720 0.637E+00 0.484E+00
DAV: 8 -0.904801765747E+02 0.39685E+00 -0.54725E-01 704 0.424E+00 0.170E+00
DAV: 9 -0.903829542201E+02 0.97222E-01 -0.13099E-01 712 0.200E+00 0.445E-01
DAV: 10 -0.903754389825E+02 0.75152E-02 -0.42984E-02 712 0.111E+00 0.344E-01
DAV: 11 -0.903797404543E+02 -0.43015E-02 -0.14986E-02 608 0.823E-01 0.181E-01
DAV: 12 -0.903808829266E+02 -0.11425E-02 -0.59299E-03 696 0.510E-01 0.126E-01
DAV: 13 -0.903855103985E+02 -0.46275E-02 -0.46579E-03 639 0.411E-01 0.984E-02
DAV: 14 -0.903882526998E+02 -0.27423E-02 -0.77521E-04 677 0.172E-01 0.546E-02
DAV: 15 -0.903909969657E+02 -0.27443E-02 -0.75871E-04 658 0.139E-01 0.237E-02
DAV: 16 -0.903926960586E+02 -0.16991E-02 -0.14730E-04 680 0.600E-02 0.187E-02
DAV: 17 -0.903937771900E+02 -0.10811E-02 -0.13907E-04 642 0.685E-02 0.115E-02
DAV: 18 -0.903943297778E+02 -0.55259E-03 -0.75051E-05 669 0.400E-02 0.112E-02
DAV: 19 -0.903944134544E+02 -0.83677E-04 -0.94917E-06 528 0.255E-02 0.537E-03
DAV: 20 -0.903945373955E+02 -0.12394E-03 -0.36608E-05 548 0.306E-02 0.754E-03
DAV: 21 -0.903945619229E+02 -0.24527E-04 -0.27985E-06 496 0.155E-02 0.481E-03
DAV: 22 -0.903945792879E+02 -0.17365E-04 -0.89843E-06 432 0.184E-02 0.165E-03
DAV: 23 -0.903945843653E+02 -0.50774E-05 -0.13760E-06 504 0.777E-03
1 F= -.90394584E+02 E0= -.90402733E+02 d E =0.244450E-01