./iterations/neb0_image06_iter138_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 0.371043525493E+03 0.37104E+03 -0.14340E+04 640 0.799E+02
DAV: 2 0.353116838037E+01 -0.36751E+03 -0.35530E+03 877 0.193E+02
DAV: 3 -0.959287601842E+02 -0.99460E+02 -0.99133E+02 704 0.116E+02
DAV: 4 -0.100316330496E+03 -0.43876E+01 -0.43748E+01 704 0.272E+01
DAV: 5 -0.100403483196E+03 -0.87153E-01 -0.87116E-01 728 0.341E+00 0.225E+01
DAV: 6 -0.918940781213E+02 0.85094E+01 -0.30553E+01 709 0.303E+01 0.118E+01
DAV: 7 -0.910792159234E+02 0.81486E+00 -0.17097E+00 712 0.629E+00 0.481E+00
DAV: 8 -0.907014068963E+02 0.37781E+00 -0.54491E-01 712 0.408E+00 0.166E+00
DAV: 9 -0.906118482788E+02 0.89559E-01 -0.13071E-01 728 0.164E+00 0.424E-01
DAV: 10 -0.906019477472E+02 0.99005E-02 -0.37231E-02 752 0.988E-01 0.287E-01
DAV: 11 -0.906057410279E+02 -0.37933E-02 -0.93949E-03 610 0.516E-01 0.142E-01
DAV: 12 -0.906080216111E+02 -0.22806E-02 -0.18255E-03 661 0.250E-01 0.918E-02
DAV: 13 -0.906124018354E+02 -0.43802E-02 -0.17464E-03 627 0.226E-01 0.705E-02
DAV: 14 -0.906147521110E+02 -0.23503E-02 -0.60654E-04 760 0.151E-01 0.277E-02
DAV: 15 -0.906175817092E+02 -0.28296E-02 -0.40644E-04 634 0.980E-02 0.326E-02
DAV: 16 -0.906188666214E+02 -0.12849E-02 -0.11512E-04 669 0.566E-02 0.144E-02
DAV: 17 -0.906197462639E+02 -0.87964E-03 -0.14485E-04 639 0.580E-02 0.148E-02
DAV: 18 -0.906199428637E+02 -0.19660E-03 -0.21226E-05 528 0.354E-02 0.960E-03
DAV: 19 -0.906200377004E+02 -0.94837E-04 -0.38053E-05 615 0.335E-02 0.848E-03
DAV: 20 -0.906200810502E+02 -0.43350E-04 -0.10833E-05 469 0.287E-02 0.272E-03
DAV: 21 -0.906201144172E+02 -0.33367E-04 -0.54470E-06 414 0.127E-02 0.148E-03
DAV: 22 -0.906201269708E+02 -0.12554E-04 -0.20318E-06 461 0.631E-03 0.133E-03
DAV: 23 -0.906201307521E+02 -0.37813E-05 -0.57953E-07 420 0.340E-03
1 F= -.90620131E+02 E0= -.90624238E+02 d E =0.123212E-01