./iterations/neb0_image09_iter71_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 0.374975979110E+03 0.37498E+03 -0.14283E+04 624 0.799E+02
DAV: 2 0.256533881061E+01 -0.37241E+03 -0.36003E+03 877 0.196E+02
DAV: 3 -0.968864962249E+02 -0.99452E+02 -0.99116E+02 672 0.117E+02
DAV: 4 -0.101263034037E+03 -0.43765E+01 -0.43676E+01 696 0.280E+01
DAV: 5 -0.101348910472E+03 -0.85876E-01 -0.85839E-01 736 0.355E+00 0.227E+01
DAV: 6 -0.926738987290E+02 0.86750E+01 -0.30896E+01 709 0.301E+01 0.119E+01
DAV: 7 -0.918009246011E+02 0.87297E+00 -0.17273E+00 728 0.616E+00 0.480E+00
DAV: 8 -0.914224097518E+02 0.37851E+00 -0.54365E-01 712 0.396E+00 0.163E+00
DAV: 9 -0.913395454403E+02 0.82864E-01 -0.13225E-01 704 0.156E+00 0.425E-01
DAV: 10 -0.913306091265E+02 0.89363E-02 -0.47006E-02 768 0.114E+00 0.307E-01
DAV: 11 -0.913351587424E+02 -0.45496E-02 -0.14156E-02 616 0.620E-01 0.151E-01
DAV: 12 -0.913380318579E+02 -0.28731E-02 -0.30580E-03 620 0.244E-01 0.118E-01
DAV: 13 -0.913419329634E+02 -0.39011E-02 -0.19443E-03 720 0.240E-01 0.450E-02
DAV: 14 -0.913452448187E+02 -0.33119E-02 -0.53161E-04 669 0.127E-01 0.308E-02
DAV: 15 -0.913469060661E+02 -0.16612E-02 -0.15270E-04 680 0.663E-02 0.330E-02
DAV: 16 -0.913481246784E+02 -0.12186E-02 -0.32287E-04 658 0.922E-02 0.189E-02
DAV: 17 -0.913483939553E+02 -0.26928E-03 -0.37960E-05 656 0.436E-02 0.133E-02
DAV: 18 -0.913486292054E+02 -0.23525E-03 -0.50789E-05 626 0.361E-02 0.105E-02
DAV: 19 -0.913487145402E+02 -0.85335E-04 -0.87149E-06 480 0.222E-02 0.495E-03
DAV: 20 -0.913487478523E+02 -0.33312E-04 -0.14036E-05 448 0.213E-02 0.339E-03
DAV: 21 -0.913487696954E+02 -0.21843E-04 -0.30011E-06 436 0.101E-02 0.223E-03
DAV: 22 -0.913487749971E+02 -0.53017E-05 -0.19203E-06 456 0.812E-03
1 F= -.91348775E+02 E0= -.91353457E+02 d E =0.140465E-01