./iterations/neb0_image04_iter53_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 0.371140209465E+03 0.37114E+03 -0.14316E+04 632 0.799E+02
DAV: 2 0.459628178820E+01 -0.36654E+03 -0.35389E+03 861 0.195E+02
DAV: 3 -0.951367790810E+02 -0.99733E+02 -0.99397E+02 677 0.116E+02
DAV: 4 -0.996371133915E+02 -0.45003E+01 -0.44892E+01 712 0.281E+01
DAV: 5 -0.997253201889E+02 -0.88207E-01 -0.88164E-01 744 0.354E+00 0.222E+01
DAV: 6 -0.912185057621E+02 0.85068E+01 -0.30159E+01 690 0.296E+01 0.116E+01
DAV: 7 -0.903784040939E+02 0.84010E+00 -0.17739E+00 712 0.631E+00 0.480E+00
DAV: 8 -0.899806781961E+02 0.39773E+00 -0.56349E-01 704 0.428E+00 0.167E+00
DAV: 9 -0.898853074849E+02 0.95371E-01 -0.13705E-01 720 0.175E+00 0.442E-01
DAV: 10 -0.898754193816E+02 0.98881E-02 -0.49725E-02 720 0.125E+00 0.336E-01
DAV: 11 -0.898792656972E+02 -0.38463E-02 -0.12858E-02 629 0.626E-01 0.143E-01
DAV: 12 -0.898808938396E+02 -0.16281E-02 -0.32637E-03 642 0.271E-01 0.120E-01
DAV: 13 -0.898857344885E+02 -0.48406E-02 -0.32522E-03 778 0.428E-01 0.750E-02
DAV: 14 -0.898883905293E+02 -0.26560E-02 -0.96342E-04 677 0.159E-01 0.599E-02
DAV: 15 -0.898903851098E+02 -0.19946E-02 -0.54982E-04 680 0.147E-01 0.242E-02
DAV: 16 -0.898922338641E+02 -0.18488E-02 -0.29502E-04 666 0.861E-02 0.297E-02
DAV: 17 -0.898929708228E+02 -0.73696E-03 -0.52941E-05 621 0.410E-02 0.218E-02
DAV: 18 -0.898934495869E+02 -0.47876E-03 -0.17023E-04 647 0.763E-02 0.131E-02
DAV: 19 -0.898934731451E+02 -0.23558E-04 -0.13229E-05 520 0.301E-02 0.823E-03
DAV: 20 -0.898935975768E+02 -0.12443E-03 -0.57172E-05 609 0.447E-02 0.106E-02
DAV: 21 -0.898936240156E+02 -0.26439E-04 -0.73023E-06 472 0.248E-02 0.563E-03
DAV: 22 -0.898936425476E+02 -0.18532E-04 -0.12318E-05 431 0.191E-02 0.322E-03
DAV: 23 -0.898936553744E+02 -0.12827E-04 -0.31881E-06 461 0.102E-02 0.383E-03
DAV: 24 -0.898936602521E+02 -0.48777E-05 -0.12758E-06 445 0.641E-03
1 F= -.89893660E+02 E0= -.89899238E+02 d E =0.167322E-01