iterations/neb0_image06_iter61_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 0.375406989573E+03 0.37541E+03 -0.14309E+04 632 0.799E+02
DAV: 2 0.417132425553E+01 -0.37124E+03 -0.35896E+03 869 0.195E+02
DAV: 3 -0.954987474230E+02 -0.99670E+02 -0.99343E+02 656 0.117E+02
DAV: 4 -0.100055821091E+03 -0.45571E+01 -0.45457E+01 704 0.290E+01
DAV: 5 -0.100149497302E+03 -0.93676E-01 -0.93639E-01 728 0.371E+00 0.226E+01
DAV: 6 -0.915489343209E+02 0.86006E+01 -0.30733E+01 669 0.305E+01 0.117E+01
DAV: 7 -0.907079006793E+02 0.84103E+00 -0.16844E+00 728 0.624E+00 0.481E+00
DAV: 8 -0.903232898865E+02 0.38461E+00 -0.53376E-01 704 0.406E+00 0.164E+00
DAV: 9 -0.902330024068E+02 0.90287E-01 -0.12981E-01 720 0.167E+00 0.432E-01
DAV: 10 -0.902233411449E+02 0.96613E-02 -0.37368E-02 744 0.983E-01 0.302E-01
DAV: 11 -0.902275339570E+02 -0.41928E-02 -0.13546E-02 680 0.778E-01 0.183E-01
DAV: 12 -0.902283801525E+02 -0.84620E-03 -0.34808E-03 680 0.379E-01 0.118E-01
DAV: 13 -0.902331060248E+02 -0.47259E-02 -0.39836E-03 619 0.359E-01 0.116E-01
DAV: 14 -0.902350507776E+02 -0.19448E-02 -0.93850E-04 712 0.183E-01 0.569E-02
DAV: 15 -0.902382081929E+02 -0.31574E-02 -0.10327E-03 738 0.196E-01 0.357E-02
DAV: 16 -0.902400644963E+02 -0.18563E-02 -0.19970E-04 736 0.957E-02 0.228E-02
DAV: 17 -0.902407182601E+02 -0.65376E-03 -0.88097E-05 712 0.489E-02 0.160E-02
DAV: 18 -0.902415244362E+02 -0.80618E-03 -0.11999E-04 636 0.566E-02 0.101E-02
DAV: 19 -0.902416287455E+02 -0.10431E-03 -0.87342E-06 520 0.224E-02 0.797E-03
DAV: 20 -0.902417342200E+02 -0.10547E-03 -0.43128E-05 609 0.409E-02 0.877E-03
DAV: 21 -0.902417446814E+02 -0.10461E-04 -0.48351E-06 536 0.203E-02 0.525E-03
DAV: 22 -0.902417754058E+02 -0.30724E-04 -0.11814E-05 406 0.198E-02 0.183E-03
DAV: 23 -0.902417891009E+02 -0.13695E-04 -0.29035E-06 458 0.774E-03 0.244E-03
DAV: 24 -0.902417916161E+02 -0.25152E-05 -0.50716E-07 478 0.374E-03
1 F= -.90241792E+02 E0= -.90250819E+02 d E =0.270818E-01