./iterations/neb0_image02_iter207_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 0.366908701033E+03 0.36691E+03 -0.14299E+04 624 0.799E+02
DAV: 2 0.141763120375E+01 -0.36549E+03 -0.35457E+03 869 0.196E+02
DAV: 3 -0.957458819726E+02 -0.97164E+02 -0.96831E+02 648 0.116E+02
DAV: 4 -0.100256258932E+03 -0.45104E+01 -0.44997E+01 712 0.289E+01
DAV: 5 -0.100344274652E+03 -0.88016E-01 -0.87978E-01 736 0.363E+00 0.222E+01
DAV: 6 -0.916697039578E+02 0.86746E+01 -0.31019E+01 672 0.300E+01 0.117E+01
DAV: 7 -0.908516478127E+02 0.81806E+00 -0.18380E+00 720 0.636E+00 0.484E+00
DAV: 8 -0.904708674215E+02 0.38078E+00 -0.54777E-01 696 0.429E+00 0.170E+00
DAV: 9 -0.903843503427E+02 0.86517E-01 -0.13762E-01 720 0.169E+00 0.428E-01
DAV: 10 -0.903792414077E+02 0.51089E-02 -0.49591E-02 704 0.127E+00 0.330E-01
DAV: 11 -0.903831045536E+02 -0.38631E-02 -0.85856E-03 624 0.620E-01 0.118E-01
DAV: 12 -0.903859717380E+02 -0.28672E-02 -0.63769E-03 640 0.397E-01 0.134E-01
DAV: 13 -0.903885313278E+02 -0.25596E-02 -0.18742E-03 864 0.335E-01 0.818E-02
DAV: 14 -0.903918210869E+02 -0.32898E-02 -0.14020E-03 621 0.175E-01 0.713E-02
DAV: 15 -0.903935629012E+02 -0.17418E-02 -0.29364E-04 704 0.105E-01 0.525E-02
DAV: 16 -0.903950700224E+02 -0.15071E-02 -0.10929E-03 680 0.194E-01 0.418E-02
DAV: 17 -0.903957233468E+02 -0.65332E-03 -0.16717E-04 760 0.901E-02 0.265E-02
DAV: 18 -0.903959927833E+02 -0.26944E-03 -0.64995E-05 680 0.387E-02 0.125E-02
DAV: 19 -0.903961892168E+02 -0.19643E-03 -0.55959E-05 644 0.402E-02 0.706E-03
DAV: 20 -0.903962127542E+02 -0.23537E-04 -0.55734E-06 520 0.159E-02 0.616E-03
DAV: 21 -0.903962668404E+02 -0.54086E-04 -0.11363E-05 422 0.186E-02 0.369E-03
DAV: 22 -0.903962767535E+02 -0.99131E-05 -0.44388E-06 488 0.126E-02
1 F= -.90396277E+02 E0= -.90402925E+02 d E =0.199452E-01