iterations/neb0_image03_iter296_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 0.366514034049E+03 0.36651E+03 -0.14291E+04 624 0.799E+02
DAV: 2 0.814767669973E+00 -0.36570E+03 -0.35352E+03 866 0.196E+02
DAV: 3 -0.959508782473E+02 -0.96766E+02 -0.96455E+02 656 0.116E+02
DAV: 4 -0.100289686399E+03 -0.43388E+01 -0.43297E+01 704 0.283E+01
DAV: 5 -0.100373778285E+03 -0.84092E-01 -0.84068E-01 736 0.356E+00 0.223E+01
DAV: 6 -0.916889069631E+02 0.86849E+01 -0.31464E+01 680 0.300E+01 0.117E+01
DAV: 7 -0.908580608769E+02 0.83085E+00 -0.17941E+00 704 0.627E+00 0.483E+00
DAV: 8 -0.904714229246E+02 0.38664E+00 -0.54853E-01 704 0.425E+00 0.171E+00
DAV: 9 -0.903819398724E+02 0.89483E-01 -0.14218E-01 712 0.173E+00 0.447E-01
DAV: 10 -0.903758415078E+02 0.60984E-02 -0.44827E-02 712 0.126E+00 0.330E-01
DAV: 11 -0.903788699038E+02 -0.30284E-02 -0.58148E-03 632 0.547E-01 0.148E-01
DAV: 12 -0.903826912642E+02 -0.38214E-02 -0.68942E-03 616 0.424E-01 0.122E-01
DAV: 13 -0.903867024576E+02 -0.40112E-02 -0.12591E-03 880 0.279E-01 0.723E-02
DAV: 14 -0.903901804318E+02 -0.34780E-02 -0.12848E-03 645 0.161E-01 0.512E-02
DAV: 15 -0.903921808391E+02 -0.20004E-02 -0.26373E-04 696 0.953E-02 0.269E-02
DAV: 16 -0.903937967310E+02 -0.16159E-02 -0.45623E-04 647 0.119E-01 0.305E-02
DAV: 17 -0.903942437816E+02 -0.44705E-03 -0.81649E-05 688 0.620E-02 0.172E-02
DAV: 18 -0.903946286433E+02 -0.38486E-03 -0.13204E-04 637 0.659E-02 0.138E-02
DAV: 19 -0.903947550823E+02 -0.12644E-03 -0.12237E-05 472 0.252E-02 0.978E-03
DAV: 20 -0.903948394581E+02 -0.84376E-04 -0.35735E-05 608 0.343E-02 0.483E-03
DAV: 21 -0.903948622026E+02 -0.22745E-04 -0.35082E-06 512 0.131E-02 0.337E-03
DAV: 22 -0.903948818665E+02 -0.19664E-04 -0.50857E-06 410 0.122E-02 0.200E-03
DAV: 23 -0.903948844502E+02 -0.25837E-05 -0.95997E-07 512 0.639E-03
1 F= -.90394884E+02 E0= -.90403088E+02 d E =0.246098E-01