iterations/neb0_image09_iter164_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 0.374044741373E+03 0.37404E+03 -0.14279E+04 624 0.799E+02
DAV: 2 0.328600566366E+01 -0.37076E+03 -0.35796E+03 869 0.196E+02
DAV: 3 -0.964980607969E+02 -0.99784E+02 -0.99453E+02 645 0.117E+02
DAV: 4 -0.101225359967E+03 -0.47273E+01 -0.47162E+01 720 0.295E+01
DAV: 5 -0.101319726599E+03 -0.94367E-01 -0.94325E-01 728 0.377E+00 0.227E+01
DAV: 6 -0.926660706594E+02 0.86537E+01 -0.30917E+01 717 0.301E+01 0.119E+01
DAV: 7 -0.918049581357E+02 0.86111E+00 -0.17215E+00 728 0.614E+00 0.479E+00
DAV: 8 -0.914304209276E+02 0.37454E+00 -0.54057E-01 712 0.394E+00 0.163E+00
DAV: 9 -0.913484774201E+02 0.81944E-01 -0.13181E-01 712 0.156E+00 0.423E-01
DAV: 10 -0.913401336879E+02 0.83437E-02 -0.43507E-02 768 0.109E+00 0.298E-01
DAV: 11 -0.913443784025E+02 -0.42447E-02 -0.11633E-02 616 0.561E-01 0.133E-01
DAV: 12 -0.913475234530E+02 -0.31451E-02 -0.27389E-03 634 0.249E-01 0.102E-01
DAV: 13 -0.913510894299E+02 -0.35660E-02 -0.11235E-03 661 0.176E-01 0.478E-02
DAV: 14 -0.913545408042E+02 -0.34514E-02 -0.82126E-04 656 0.171E-01 0.360E-02
DAV: 15 -0.913557500048E+02 -0.12092E-02 -0.15592E-04 744 0.851E-02 0.344E-02
DAV: 16 -0.913571209048E+02 -0.13709E-02 -0.28191E-04 645 0.878E-02 0.143E-02
DAV: 17 -0.913576491709E+02 -0.52827E-03 -0.65877E-05 680 0.486E-02 0.134E-02
DAV: 18 -0.913578960498E+02 -0.24688E-03 -0.44636E-05 648 0.337E-02 0.864E-03
DAV: 19 -0.913579744098E+02 -0.78360E-04 -0.78236E-06 480 0.159E-02 0.458E-03
DAV: 20 -0.913580109026E+02 -0.36493E-04 -0.73095E-06 440 0.147E-02 0.205E-03
DAV: 21 -0.913580282703E+02 -0.17368E-04 -0.30173E-06 450 0.835E-03 0.189E-03
DAV: 22 -0.913580329024E+02 -0.46321E-05 -0.79092E-07 458 0.386E-03
1 F= -.91358033E+02 E0= -.91362783E+02 d E =0.142491E-01