iterations/neb0_image04_iter34_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 0.372642116224E+03 0.37264E+03 -0.14333E+04 632 0.799E+02
DAV: 2 0.479787849938E+01 -0.36784E+03 -0.35597E+03 869 0.195E+02
DAV: 3 -0.950278600499E+02 -0.99826E+02 -0.99477E+02 669 0.116E+02
DAV: 4 -0.994934097795E+02 -0.44655E+01 -0.44536E+01 720 0.286E+01
DAV: 5 -0.995773966542E+02 -0.83987E-01 -0.83955E-01 728 0.356E+00 0.224E+01
DAV: 6 -0.909158483632E+02 0.86615E+01 -0.30257E+01 698 0.297E+01 0.117E+01
DAV: 7 -0.900497376950E+02 0.86611E+00 -0.18089E+00 720 0.630E+00 0.480E+00
DAV: 8 -0.896510497894E+02 0.39869E+00 -0.56050E-01 696 0.431E+00 0.170E+00
DAV: 9 -0.895552502519E+02 0.95800E-01 -0.14725E-01 720 0.178E+00 0.441E-01
DAV: 10 -0.895459885080E+02 0.92617E-02 -0.41258E-02 736 0.110E+00 0.319E-01
DAV: 11 -0.895499348975E+02 -0.39464E-02 -0.11433E-02 621 0.599E-01 0.141E-01
DAV: 12 -0.895515669595E+02 -0.16321E-02 -0.23988E-03 672 0.275E-01 0.113E-01
DAV: 13 -0.895568720342E+02 -0.53051E-02 -0.45518E-03 751 0.485E-01 0.946E-02
DAV: 14 -0.895584619886E+02 -0.15900E-02 -0.10918E-03 712 0.215E-01 0.647E-02
DAV: 15 -0.895600062748E+02 -0.15443E-02 -0.78234E-04 669 0.158E-01 0.274E-02
DAV: 16 -0.895622708197E+02 -0.22645E-02 -0.35056E-04 647 0.109E-01 0.398E-02
DAV: 17 -0.895629884078E+02 -0.71759E-03 -0.15038E-04 757 0.957E-02 0.324E-02
DAV: 18 -0.895634825332E+02 -0.49413E-03 -0.23549E-04 714 0.113E-01 0.155E-02
DAV: 19 -0.895636608983E+02 -0.17837E-03 -0.75269E-05 693 0.541E-02 0.142E-02
DAV: 20 -0.895637537319E+02 -0.92834E-04 -0.64899E-05 639 0.489E-02 0.157E-02
DAV: 21 -0.895637705363E+02 -0.16804E-04 -0.41193E-05 597 0.696E-02 0.107E-02
DAV: 22 -0.895637943077E+02 -0.23771E-04 -0.14256E-04 685 0.848E-02 0.155E-02
DAV: 23 -0.895638011342E+02 -0.68265E-05 -0.23379E-05 536 0.377E-02
1 F= -.89563801E+02 E0= -.89568717E+02 d E =0.147486E-01