iterations/neb0_image04_iter136_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 0.369406819437E+03 0.36941E+03 -0.14315E+04 632 0.799E+02
DAV: 2 0.436009040129E+01 -0.36505E+03 -0.35180E+03 850 0.195E+02
DAV: 3 -0.956592291627E+02 -0.10002E+03 -0.99697E+02 693 0.116E+02
DAV: 4 -0.100004970588E+03 -0.43457E+01 -0.43347E+01 712 0.274E+01
DAV: 5 -0.100088474663E+03 -0.83504E-01 -0.83465E-01 736 0.342E+00 0.223E+01
DAV: 6 -0.914942943904E+02 0.85942E+01 -0.30324E+01 696 0.296E+01 0.116E+01
DAV: 7 -0.906343069848E+02 0.85999E+00 -0.17840E+00 696 0.630E+00 0.481E+00
DAV: 8 -0.902329766827E+02 0.40133E+00 -0.56505E-01 712 0.428E+00 0.164E+00
DAV: 9 -0.901392702570E+02 0.93706E-01 -0.13167E-01 704 0.183E+00 0.441E-01
DAV: 10 -0.901307817234E+02 0.84885E-02 -0.45694E-02 720 0.112E+00 0.338E-01
DAV: 11 -0.901352833002E+02 -0.45016E-02 -0.12808E-02 656 0.745E-01 0.147E-01
DAV: 12 -0.901368844883E+02 -0.16012E-02 -0.43779E-03 647 0.338E-01 0.130E-01
DAV: 13 -0.901414443746E+02 -0.45599E-02 -0.52777E-03 690 0.514E-01 0.102E-01
DAV: 14 -0.901439188723E+02 -0.24745E-02 -0.10448E-03 688 0.200E-01 0.756E-02
DAV: 15 -0.901459277105E+02 -0.20088E-02 -0.62827E-04 677 0.127E-01 0.308E-02
DAV: 16 -0.901480777001E+02 -0.21500E-02 -0.33146E-04 655 0.105E-01 0.375E-02
DAV: 17 -0.901485615442E+02 -0.48384E-03 -0.97353E-05 808 0.105E-01 0.368E-02
DAV: 18 -0.901485352333E+02 0.26311E-04 -0.51012E-05 685 0.357E-02 0.336E-02
DAV: 19 -0.901486178712E+02 -0.82638E-04 -0.19546E-04 768 0.135E-01 0.509E-02
DAV: 20 -0.901486138114E+02 0.40598E-05 -0.96350E-05 712 0.615E-02
1 F= -.90148614E+02 E0= -.90156543E+02 d E =0.237882E-01