iterations/neb0_image06_iter248_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 0.373794609466E+03 0.37379E+03 -0.14320E+04 632 0.799E+02
DAV: 2 0.463370376257E+01 -0.36916E+03 -0.35693E+03 863 0.194E+02
DAV: 3 -0.951701525072E+02 -0.99804E+02 -0.99431E+02 656 0.117E+02
DAV: 4 -0.100018049536E+03 -0.48479E+01 -0.48324E+01 728 0.292E+01
DAV: 5 -0.100120058735E+03 -0.10201E+00 -0.10196E+00 704 0.376E+00 0.225E+01
DAV: 6 -0.915736846901E+02 0.85464E+01 -0.30066E+01 696 0.302E+01 0.118E+01
DAV: 7 -0.907387417518E+02 0.83494E+00 -0.17258E+00 720 0.632E+00 0.481E+00
DAV: 8 -0.903636707117E+02 0.37507E+00 -0.56940E-01 712 0.420E+00 0.167E+00
DAV: 9 -0.902754717758E+02 0.88199E-01 -0.12797E-01 720 0.162E+00 0.433E-01
DAV: 10 -0.902656391842E+02 0.98326E-02 -0.33542E-02 720 0.907E-01 0.285E-01
DAV: 11 -0.902696630808E+02 -0.40239E-02 -0.10459E-02 602 0.555E-01 0.164E-01
DAV: 12 -0.902715506413E+02 -0.18876E-02 -0.34353E-03 640 0.355E-01 0.884E-02
DAV: 13 -0.902757504011E+02 -0.41998E-02 -0.24304E-03 617 0.244E-01 0.833E-02
DAV: 14 -0.902781573227E+02 -0.24069E-02 -0.70630E-04 784 0.198E-01 0.310E-02
DAV: 15 -0.902809729180E+02 -0.28156E-02 -0.51190E-04 622 0.112E-01 0.384E-02
DAV: 16 -0.902825816049E+02 -0.16087E-02 -0.26734E-04 773 0.109E-01 0.187E-02
DAV: 17 -0.902834338357E+02 -0.85223E-03 -0.13911E-04 669 0.570E-02 0.161E-02
DAV: 18 -0.902836737592E+02 -0.23992E-03 -0.25206E-05 549 0.264E-02 0.949E-03
DAV: 19 -0.902838343852E+02 -0.16063E-03 -0.36841E-05 556 0.319E-02 0.462E-03
DAV: 20 -0.902838568899E+02 -0.22505E-04 -0.28513E-06 496 0.120E-02 0.295E-03
DAV: 21 -0.902838785574E+02 -0.21667E-04 -0.45510E-06 395 0.113E-02 0.120E-03
DAV: 22 -0.902838838580E+02 -0.53006E-05 -0.88692E-07 461 0.511E-03
1 F= -.90283884E+02 E0= -.90288245E+02 d E =0.130830E-01