iterations/neb0_image07_iter237_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 0.371971076425E+03 0.37197E+03 -0.14328E+04 632 0.799E+02
DAV: 2 0.387991968830E+01 -0.36809E+03 -0.35621E+03 866 0.194E+02
DAV: 3 -0.965570989562E+02 -0.10044E+03 -0.10011E+03 688 0.116E+02
DAV: 4 -0.101156202730E+03 -0.45991E+01 -0.45866E+01 696 0.281E+01
DAV: 5 -0.101248632287E+03 -0.92430E-01 -0.92370E-01 736 0.357E+00 0.227E+01
DAV: 6 -0.926011179589E+02 0.86475E+01 -0.30696E+01 728 0.299E+01 0.119E+01
DAV: 7 -0.917407256363E+02 0.86039E+00 -0.17459E+00 728 0.619E+00 0.480E+00
DAV: 8 -0.913659215096E+02 0.37480E+00 -0.54435E-01 728 0.397E+00 0.161E+00
DAV: 9 -0.912848597783E+02 0.81062E-01 -0.13090E-01 720 0.156E+00 0.420E-01
DAV: 10 -0.912760719349E+02 0.87878E-02 -0.40080E-02 768 0.103E+00 0.287E-01
DAV: 11 -0.912805093724E+02 -0.44374E-02 -0.11669E-02 616 0.564E-01 0.143E-01
DAV: 12 -0.912834832954E+02 -0.29739E-02 -0.25870E-03 621 0.265E-01 0.855E-02
DAV: 13 -0.912873073324E+02 -0.38240E-02 -0.14603E-03 636 0.182E-01 0.545E-02
DAV: 14 -0.912904572202E+02 -0.31499E-02 -0.93671E-04 733 0.236E-01 0.487E-02
DAV: 15 -0.912920370236E+02 -0.15798E-02 -0.41782E-04 664 0.114E-01 0.389E-02
DAV: 16 -0.912929077273E+02 -0.87070E-03 -0.17393E-04 760 0.800E-02 0.158E-02
DAV: 17 -0.912938057664E+02 -0.89804E-03 -0.17761E-04 720 0.733E-02 0.179E-02
DAV: 18 -0.912940174208E+02 -0.21165E-03 -0.25493E-05 560 0.349E-02 0.893E-03
DAV: 19 -0.912941486817E+02 -0.13126E-03 -0.32746E-05 565 0.296E-02 0.397E-03
DAV: 20 -0.912941773799E+02 -0.28698E-04 -0.25811E-06 504 0.918E-03 0.316E-03
DAV: 21 -0.912941926725E+02 -0.15293E-04 -0.15738E-06 421 0.710E-03 0.158E-03
DAV: 22 -0.912942051109E+02 -0.12438E-04 -0.19768E-06 439 0.696E-03 0.923E-04
DAV: 23 -0.912942059059E+02 -0.79494E-06 -0.31316E-07 536 0.303E-03
1 F= -.91294206E+02 E0= -.91299581E+02 d E =0.161250E-01