iterations/neb0_image06_iter269_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 0.373379398383E+03 0.37338E+03 -0.14313E+04 632 0.799E+02
DAV: 2 0.611744729991E+01 -0.36726E+03 -0.35464E+03 837 0.194E+02
DAV: 3 -0.948250583824E+02 -0.10094E+03 -0.10053E+03 688 0.117E+02
DAV: 4 -0.995078252228E+02 -0.46828E+01 -0.46672E+01 736 0.281E+01
DAV: 5 -0.996041592568E+02 -0.96334E-01 -0.96286E-01 704 0.357E+00 0.223E+01
DAV: 6 -0.911477279573E+02 0.84564E+01 -0.29875E+01 696 0.303E+01 0.117E+01
DAV: 7 -0.903477800512E+02 0.79995E+00 -0.17338E+00 704 0.637E+00 0.480E+00
DAV: 8 -0.899759017487E+02 0.37188E+00 -0.55229E-01 704 0.415E+00 0.169E+00
DAV: 9 -0.898852233883E+02 0.90678E-01 -0.12976E-01 704 0.165E+00 0.434E-01
DAV: 10 -0.898755479428E+02 0.96754E-02 -0.35561E-02 781 0.923E-01 0.292E-01
DAV: 11 -0.898796833667E+02 -0.41354E-02 -0.13231E-02 605 0.664E-01 0.193E-01
DAV: 12 -0.898804793654E+02 -0.79600E-03 -0.39313E-03 736 0.396E-01 0.991E-02
DAV: 13 -0.898851978452E+02 -0.47185E-02 -0.33396E-03 595 0.330E-01 0.898E-02
DAV: 14 -0.898866422437E+02 -0.14444E-02 -0.44139E-04 816 0.170E-01 0.514E-02
DAV: 15 -0.898900439290E+02 -0.34017E-02 -0.11530E-03 643 0.196E-01 0.427E-02
DAV: 16 -0.898917987720E+02 -0.17548E-02 -0.28590E-04 904 0.124E-01 0.176E-02
DAV: 17 -0.898926634762E+02 -0.86470E-03 -0.13652E-04 666 0.557E-02 0.145E-02
DAV: 18 -0.898931602826E+02 -0.49681E-03 -0.54238E-05 583 0.308E-02 0.129E-02
DAV: 19 -0.898932821342E+02 -0.12185E-03 -0.18139E-05 568 0.322E-02 0.474E-03
DAV: 20 -0.898933709079E+02 -0.88774E-04 -0.18017E-05 419 0.220E-02 0.362E-03
DAV: 21 -0.898933956545E+02 -0.24747E-04 -0.31993E-06 469 0.775E-03 0.353E-03
DAV: 22 -0.898934071224E+02 -0.11468E-04 -0.22533E-06 420 0.101E-02 0.110E-03
DAV: 23 -0.898934109034E+02 -0.37810E-05 -0.14817E-06 460 0.617E-03
1 F= -.89893411E+02 E0= -.89897835E+02 d E =0.132721E-01