iterations/neb0_image03_iter180_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 0.364331478928E+03 0.36433E+03 -0.14325E+04 632 0.799E+02
DAV: 2 0.160421582879E+00 -0.36417E+03 -0.35410E+03 858 0.195E+02
DAV: 3 -0.961225441780E+02 -0.96283E+02 -0.95972E+02 680 0.115E+02
DAV: 4 -0.100264378855E+03 -0.41418E+01 -0.41305E+01 720 0.270E+01
DAV: 5 -0.100345921138E+03 -0.81542E-01 -0.81507E-01 736 0.339E+00 0.222E+01
DAV: 6 -0.917218828904E+02 0.86240E+01 -0.30992E+01 672 0.299E+01 0.117E+01
DAV: 7 -0.908791767697E+02 0.84271E+00 -0.18032E+00 720 0.634E+00 0.484E+00
DAV: 8 -0.904822992670E+02 0.39688E+00 -0.55903E-01 704 0.429E+00 0.169E+00
DAV: 9 -0.903850423973E+02 0.97257E-01 -0.13005E-01 712 0.181E+00 0.443E-01
DAV: 10 -0.903768561065E+02 0.81863E-02 -0.52525E-02 712 0.126E+00 0.352E-01
DAV: 11 -0.903808198182E+02 -0.39637E-02 -0.12149E-02 616 0.729E-01 0.131E-01
DAV: 12 -0.903830152405E+02 -0.21954E-02 -0.57061E-03 629 0.371E-01 0.132E-01
DAV: 13 -0.903866705413E+02 -0.36553E-02 -0.34412E-03 824 0.452E-01 0.827E-02
DAV: 14 -0.903902525723E+02 -0.35820E-02 -0.13692E-03 669 0.217E-01 0.685E-02
DAV: 15 -0.903920623265E+02 -0.18098E-02 -0.28650E-04 664 0.903E-02 0.379E-02
DAV: 16 -0.903943011298E+02 -0.22388E-02 -0.66555E-04 647 0.143E-01 0.296E-02
DAV: 17 -0.903948171924E+02 -0.51606E-03 -0.59913E-05 712 0.629E-02 0.214E-02
DAV: 18 -0.903955033830E+02 -0.68619E-03 -0.31361E-04 649 0.112E-01 0.205E-02
DAV: 19 -0.903956021955E+02 -0.98813E-04 -0.41545E-05 704 0.494E-02 0.108E-02
DAV: 20 -0.903956915631E+02 -0.89368E-04 -0.32482E-05 570 0.292E-02 0.283E-03
DAV: 21 -0.903957549080E+02 -0.63345E-04 -0.71583E-06 440 0.125E-02 0.305E-03
DAV: 22 -0.903957804328E+02 -0.25525E-04 -0.47197E-06 463 0.851E-03 0.373E-03
DAV: 23 -0.903957867776E+02 -0.63448E-05 -0.24052E-06 496 0.131E-02
1 F= -.90395787E+02 E0= -.90401534E+02 d E =0.172417E-01