iterations/neb0_image04_iter168_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 0.363772064264E+03 0.36377E+03 -0.14357E+04 640 0.799E+02
DAV: 2 0.673098747953E+00 -0.36310E+03 -0.35017E+03 874 0.194E+02
DAV: 3 -0.960346205094E+02 -0.96708E+02 -0.96405E+02 666 0.115E+02
DAV: 4 -0.100245817074E+03 -0.42112E+01 -0.42017E+01 696 0.277E+01
DAV: 5 -0.100325683393E+03 -0.79866E-01 -0.79831E-01 736 0.346E+00 0.223E+01
DAV: 6 -0.916118202551E+02 0.87139E+01 -0.30999E+01 687 0.297E+01 0.116E+01
DAV: 7 -0.907448448272E+02 0.86698E+00 -0.17866E+00 704 0.630E+00 0.484E+00
DAV: 8 -0.903331903127E+02 0.41165E+00 -0.57423E-01 704 0.430E+00 0.162E+00
DAV: 9 -0.902383441081E+02 0.94846E-01 -0.13256E-01 712 0.168E+00 0.440E-01
DAV: 10 -0.902292387567E+02 0.91054E-02 -0.49469E-02 720 0.115E+00 0.346E-01
DAV: 11 -0.902344670029E+02 -0.52282E-02 -0.11377E-02 680 0.725E-01 0.151E-01
DAV: 12 -0.902360907400E+02 -0.16237E-02 -0.36886E-03 648 0.328E-01 0.121E-01
DAV: 13 -0.902394657304E+02 -0.33750E-02 -0.19774E-03 615 0.252E-01 0.734E-02
DAV: 14 -0.902437668461E+02 -0.43011E-02 -0.10380E-03 628 0.141E-01 0.458E-02
DAV: 15 -0.902461226495E+02 -0.23558E-02 -0.29809E-04 672 0.985E-02 0.289E-02
DAV: 16 -0.902476386722E+02 -0.15160E-02 -0.29403E-04 666 0.899E-02 0.238E-02
DAV: 17 -0.902483784798E+02 -0.73981E-03 -0.87601E-05 736 0.664E-02 0.128E-02
DAV: 18 -0.902488344390E+02 -0.45596E-03 -0.68264E-05 649 0.386E-02 0.997E-03
DAV: 19 -0.902490047038E+02 -0.17026E-03 -0.18480E-05 517 0.275E-02 0.424E-03
DAV: 20 -0.902491279899E+02 -0.12329E-03 -0.24886E-05 508 0.243E-02 0.558E-03
DAV: 21 -0.902491580465E+02 -0.30057E-04 -0.37501E-06 488 0.140E-02 0.308E-03
DAV: 22 -0.902491668081E+02 -0.87616E-05 -0.38898E-06 488 0.111E-02
1 F= -.90249167E+02 E0= -.90257977E+02 d E =0.264320E-01