iterations/neb0_image08_iter118_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 0.375462629732E+03 0.37546E+03 -0.14281E+04 624 0.799E+02
DAV: 2 0.332079978304E+01 -0.37214E+03 -0.35929E+03 869 0.196E+02
DAV: 3 -0.967939689230E+02 -0.10011E+03 -0.99777E+02 677 0.117E+02
DAV: 4 -0.101196205392E+03 -0.44022E+01 -0.43916E+01 704 0.278E+01
DAV: 5 -0.101283106379E+03 -0.86901E-01 -0.86868E-01 736 0.351E+00 0.227E+01
DAV: 6 -0.926246852784E+02 0.86584E+01 -0.30841E+01 714 0.302E+01 0.119E+01
DAV: 7 -0.917547057149E+02 0.86998E+00 -0.17161E+00 720 0.615E+00 0.480E+00
DAV: 8 -0.913768552689E+02 0.37785E+00 -0.54954E-01 704 0.400E+00 0.163E+00
DAV: 9 -0.912938315114E+02 0.83024E-01 -0.13233E-01 712 0.157E+00 0.424E-01
DAV: 10 -0.912850179426E+02 0.88136E-02 -0.47045E-02 760 0.114E+00 0.308E-01
DAV: 11 -0.912897877094E+02 -0.47698E-02 -0.14481E-02 613 0.628E-01 0.156E-01
DAV: 12 -0.912925294415E+02 -0.27417E-02 -0.29371E-03 608 0.249E-01 0.115E-01
DAV: 13 -0.912961887715E+02 -0.36593E-02 -0.17255E-03 655 0.223E-01 0.463E-02
DAV: 14 -0.912996748107E+02 -0.34860E-02 -0.73544E-04 656 0.166E-01 0.351E-02
DAV: 15 -0.913009969575E+02 -0.13221E-02 -0.21568E-04 672 0.911E-02 0.396E-02
DAV: 16 -0.913022174335E+02 -0.12205E-02 -0.35793E-04 647 0.103E-01 0.180E-02
DAV: 17 -0.913026709888E+02 -0.45356E-03 -0.58148E-05 664 0.505E-02 0.148E-02
DAV: 18 -0.913029136853E+02 -0.24270E-03 -0.43827E-05 656 0.331E-02 0.114E-02
DAV: 19 -0.913030408567E+02 -0.12717E-03 -0.14199E-05 445 0.195E-02 0.517E-03
DAV: 20 -0.913030732243E+02 -0.32368E-04 -0.75379E-06 488 0.151E-02 0.231E-03
DAV: 21 -0.913030958087E+02 -0.22584E-04 -0.46988E-06 412 0.118E-02 0.208E-03
DAV: 22 -0.913031021385E+02 -0.63298E-05 -0.12942E-06 455 0.495E-03
1 F= -.91303102E+02 E0= -.91308091E+02 d E =0.149666E-01