iterations/neb0_image06_iter59_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 0.374950467509E+03 0.37495E+03 -0.14306E+04 632 0.799E+02
DAV: 2 0.412752946850E+01 -0.37082E+03 -0.35859E+03 869 0.195E+02
DAV: 3 -0.954536978802E+02 -0.99581E+02 -0.99254E+02 656 0.117E+02
DAV: 4 -0.100011479258E+03 -0.45578E+01 -0.45464E+01 704 0.290E+01
DAV: 5 -0.100105775242E+03 -0.94296E-01 -0.94258E-01 728 0.371E+00 0.225E+01
DAV: 6 -0.915273083042E+02 0.85785E+01 -0.30734E+01 677 0.305E+01 0.117E+01
DAV: 7 -0.906934054575E+02 0.83390E+00 -0.16836E+00 728 0.623E+00 0.480E+00
DAV: 8 -0.903093665138E+02 0.38404E+00 -0.53552E-01 696 0.406E+00 0.163E+00
DAV: 9 -0.902192559949E+02 0.90111E-01 -0.12895E-01 720 0.163E+00 0.428E-01
DAV: 10 -0.902092788872E+02 0.99771E-02 -0.44226E-02 725 0.107E+00 0.312E-01
DAV: 11 -0.902139190598E+02 -0.46402E-02 -0.14635E-02 616 0.757E-01 0.180E-01
DAV: 12 -0.902150166050E+02 -0.10975E-02 -0.33304E-03 678 0.314E-01 0.133E-01
DAV: 13 -0.902195786299E+02 -0.45620E-02 -0.44187E-03 622 0.461E-01 0.887E-02
DAV: 14 -0.902214618125E+02 -0.18832E-02 -0.80639E-04 704 0.180E-01 0.728E-02
DAV: 15 -0.902238741119E+02 -0.24123E-02 -0.86820E-04 637 0.178E-01 0.314E-02
DAV: 16 -0.902260329240E+02 -0.21588E-02 -0.34667E-04 666 0.947E-02 0.282E-02
DAV: 17 -0.902268908542E+02 -0.85793E-03 -0.76662E-05 725 0.538E-02 0.201E-02
DAV: 18 -0.902275469524E+02 -0.65610E-03 -0.18962E-04 679 0.842E-02 0.148E-02
DAV: 19 -0.902276501771E+02 -0.10322E-03 -0.23911E-05 616 0.366E-02 0.107E-02
DAV: 20 -0.902277353246E+02 -0.85148E-04 -0.16090E-05 428 0.206E-02 0.471E-03
DAV: 21 -0.902278125970E+02 -0.77272E-04 -0.13605E-05 444 0.165E-02 0.329E-03
DAV: 22 -0.902278245260E+02 -0.11929E-04 -0.30192E-06 520 0.112E-02 0.301E-03
DAV: 23 -0.902278311191E+02 -0.65932E-05 -0.19152E-06 392 0.924E-03
1 F= -.90227831E+02 E0= -.90233863E+02 d E =0.180959E-01