iterations/neb0_image05_iter249_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 0.367417245433E+03 0.36742E+03 -0.14301E+04 624 0.799E+02
DAV: 2 0.450392502204E+01 -0.36291E+03 -0.34832E+03 837 0.195E+02
DAV: 3 -0.955669624274E+02 -0.10007E+03 -0.99721E+02 680 0.117E+02
DAV: 4 -0.100137995060E+03 -0.45710E+01 -0.45588E+01 696 0.284E+01
DAV: 5 -0.100225697857E+03 -0.87703E-01 -0.87659E-01 736 0.354E+00 0.222E+01
DAV: 6 -0.916085750656E+02 0.86171E+01 -0.31150E+01 704 0.300E+01 0.117E+01
DAV: 7 -0.907882794354E+02 0.82030E+00 -0.17569E+00 728 0.623E+00 0.482E+00
DAV: 8 -0.904106251909E+02 0.37765E+00 -0.53533E-01 728 0.425E+00 0.167E+00
DAV: 9 -0.903227118112E+02 0.87913E-01 -0.12986E-01 720 0.170E+00 0.436E-01
DAV: 10 -0.903154380645E+02 0.72737E-02 -0.38847E-02 728 0.113E+00 0.308E-01
DAV: 11 -0.903184031647E+02 -0.29651E-02 -0.52718E-03 608 0.466E-01 0.134E-01
DAV: 12 -0.903215042575E+02 -0.31011E-02 -0.61486E-03 616 0.438E-01 0.136E-01
DAV: 13 -0.903233408493E+02 -0.18366E-02 -0.19321E-03 880 0.297E-01 0.743E-02
DAV: 14 -0.903280088340E+02 -0.46680E-02 -0.14601E-03 614 0.206E-01 0.517E-02
DAV: 15 -0.903301113479E+02 -0.21025E-02 -0.27362E-04 712 0.878E-02 0.435E-02
DAV: 16 -0.903321606156E+02 -0.20493E-02 -0.74928E-04 661 0.181E-01 0.328E-02
DAV: 17 -0.903327796938E+02 -0.61908E-03 -0.99148E-05 704 0.765E-02 0.245E-02
DAV: 18 -0.903332848726E+02 -0.50518E-03 -0.17160E-04 639 0.753E-02 0.100E-02
DAV: 19 -0.903335062264E+02 -0.22135E-03 -0.20653E-05 488 0.343E-02 0.559E-03
DAV: 20 -0.903336144230E+02 -0.10820E-03 -0.20795E-05 490 0.196E-02 0.311E-03
DAV: 21 -0.903336572272E+02 -0.42804E-04 -0.47298E-06 477 0.852E-03 0.235E-03
DAV: 22 -0.903336672427E+02 -0.10016E-04 -0.22344E-06 450 0.815E-03 0.141E-03
DAV: 23 -0.903336708953E+02 -0.36526E-05 -0.16185E-06 441 0.684E-03
1 F= -.90333671E+02 E0= -.90342153E+02 d E =0.254463E-01