iterations/neb0_image03_iter38_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 0.369377129442E+03 0.36938E+03 -0.14332E+04 632 0.799E+02
DAV: 2 0.434608319698E+01 -0.36503E+03 -0.35191E+03 845 0.195E+02
DAV: 3 -0.952674352534E+02 -0.99614E+02 -0.99276E+02 656 0.116E+02
DAV: 4 -0.100021751999E+03 -0.47543E+01 -0.47445E+01 712 0.294E+01
DAV: 5 -0.100113510839E+03 -0.91759E-01 -0.91713E-01 728 0.369E+00 0.224E+01
DAV: 6 -0.914307983052E+02 0.86827E+01 -0.30533E+01 680 0.298E+01 0.117E+01
DAV: 7 -0.905654845559E+02 0.86531E+00 -0.18288E+00 696 0.637E+00 0.481E+00
DAV: 8 -0.901637431138E+02 0.40174E+00 -0.54475E-01 696 0.420E+00 0.170E+00
DAV: 9 -0.900665281671E+02 0.97215E-01 -0.14622E-01 696 0.172E+00 0.447E-01
DAV: 10 -0.900581190903E+02 0.84091E-02 -0.41764E-02 696 0.120E+00 0.329E-01
DAV: 11 -0.900611517718E+02 -0.30327E-02 -0.72488E-03 608 0.540E-01 0.131E-01
DAV: 12 -0.900639799243E+02 -0.28282E-02 -0.55258E-03 607 0.346E-01 0.119E-01
DAV: 13 -0.900674708585E+02 -0.34909E-02 -0.13137E-03 904 0.304E-01 0.710E-02
DAV: 14 -0.900708219954E+02 -0.33511E-02 -0.93214E-04 639 0.144E-01 0.546E-02
DAV: 15 -0.900737809682E+02 -0.29590E-02 -0.43604E-04 690 0.114E-01 0.289E-02
DAV: 16 -0.900754187123E+02 -0.16377E-02 -0.32894E-04 672 0.932E-02 0.268E-02
DAV: 17 -0.900762255563E+02 -0.80684E-03 -0.15185E-04 850 0.878E-02 0.128E-02
DAV: 18 -0.900765670551E+02 -0.34150E-03 -0.52244E-05 661 0.394E-02 0.125E-02
DAV: 19 -0.900767148403E+02 -0.14779E-03 -0.16094E-05 493 0.241E-02 0.697E-03
DAV: 20 -0.900767988950E+02 -0.84055E-04 -0.27231E-05 573 0.308E-02 0.567E-03
DAV: 21 -0.900768400540E+02 -0.41159E-04 -0.50182E-06 442 0.148E-02 0.298E-03
DAV: 22 -0.900768563134E+02 -0.16259E-04 -0.36077E-06 453 0.918E-03 0.116E-03
DAV: 23 -0.900768617093E+02 -0.53959E-05 -0.10971E-06 460 0.489E-03
1 F= -.90076862E+02 E0= -.90088227E+02 d E =0.340950E-01