iterations/neb0_image04_iter55_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 0.371180563335E+03 0.37118E+03 -0.14316E+04 632 0.799E+02
DAV: 2 0.452367280675E+01 -0.36666E+03 -0.35400E+03 861 0.195E+02
DAV: 3 -0.951577049947E+02 -0.99681E+02 -0.99351E+02 677 0.116E+02
DAV: 4 -0.996510141945E+02 -0.44933E+01 -0.44832E+01 704 0.281E+01
DAV: 5 -0.997389073130E+02 -0.87893E-01 -0.87845E-01 736 0.354E+00 0.222E+01
DAV: 6 -0.912354468663E+02 0.85035E+01 -0.30093E+01 693 0.295E+01 0.116E+01
DAV: 7 -0.903965625899E+02 0.83888E+00 -0.17814E+00 712 0.630E+00 0.479E+00
DAV: 8 -0.900019586635E+02 0.39460E+00 -0.55680E-01 704 0.426E+00 0.168E+00
DAV: 9 -0.899065359515E+02 0.95423E-01 -0.13890E-01 720 0.176E+00 0.441E-01
DAV: 10 -0.898968877268E+02 0.96482E-02 -0.48500E-02 720 0.124E+00 0.330E-01
DAV: 11 -0.899007095701E+02 -0.38218E-02 -0.11967E-02 629 0.603E-01 0.137E-01
DAV: 12 -0.899025730114E+02 -0.18634E-02 -0.31553E-03 658 0.271E-01 0.116E-01
DAV: 13 -0.899072020201E+02 -0.46290E-02 -0.26581E-03 818 0.394E-01 0.678E-02
DAV: 14 -0.899099410021E+02 -0.27390E-02 -0.90733E-04 677 0.153E-01 0.532E-02
DAV: 15 -0.899120404214E+02 -0.20994E-02 -0.47893E-04 688 0.138E-01 0.235E-02
DAV: 16 -0.899137598987E+02 -0.17195E-02 -0.25162E-04 666 0.788E-02 0.280E-02
DAV: 17 -0.899144135532E+02 -0.65365E-03 -0.53499E-05 624 0.459E-02 0.175E-02
DAV: 18 -0.899149288698E+02 -0.51532E-03 -0.17192E-04 636 0.733E-02 0.158E-02
DAV: 19 -0.899149422521E+02 -0.13382E-04 -0.12846E-05 528 0.320E-02 0.918E-03
DAV: 20 -0.899150518371E+02 -0.10959E-03 -0.62860E-05 614 0.464E-02 0.105E-02
DAV: 21 -0.899150897756E+02 -0.37939E-04 -0.84348E-06 453 0.251E-02 0.501E-03
DAV: 22 -0.899151040860E+02 -0.14310E-04 -0.10326E-05 485 0.173E-02 0.207E-03
DAV: 23 -0.899151140460E+02 -0.99600E-05 -0.30797E-06 439 0.102E-02
1 F= -.89915114E+02 E0= -.89920805E+02 d E =0.170734E-01