iterations/neb0_image05_iter104_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 0.373181022545E+03 0.37318E+03 -0.14305E+04 632 0.799E+02
DAV: 2 0.365647495031E+01 -0.36952E+03 -0.35718E+03 882 0.194E+02
DAV: 3 -0.942430093207E+02 -0.97899E+02 -0.97540E+02 637 0.116E+02
DAV: 4 -0.988267546664E+02 -0.45837E+01 -0.45721E+01 704 0.296E+01
DAV: 5 -0.989248643028E+02 -0.98110E-01 -0.98057E-01 728 0.384E+00 0.219E+01
DAV: 6 -0.905597361770E+02 0.83651E+01 -0.28653E+01 674 0.289E+01 0.112E+01
DAV: 7 -0.896683108174E+02 0.89143E+00 -0.18017E+00 728 0.671E+00 0.469E+00
DAV: 8 -0.892732501084E+02 0.39506E+00 -0.63378E-01 704 0.453E+00 0.156E+00
DAV: 9 -0.891903448910E+02 0.82905E-01 -0.12561E-01 728 0.170E+00 0.452E-01
DAV: 10 -0.891781876769E+02 0.12157E-01 -0.51833E-02 728 0.123E+00 0.349E-01
DAV: 11 -0.891796249591E+02 -0.14373E-02 -0.13167E-02 640 0.657E-01 0.129E-01
DAV: 12 -0.891810195188E+02 -0.13946E-02 -0.32951E-03 688 0.327E-01 0.128E-01
DAV: 13 -0.891869767454E+02 -0.59572E-02 -0.38470E-03 676 0.410E-01 0.805E-02
DAV: 14 -0.891896738736E+02 -0.26971E-02 -0.89253E-04 680 0.166E-01 0.562E-02
DAV: 15 -0.891927545036E+02 -0.30806E-02 -0.13742E-03 631 0.211E-01 0.451E-02
DAV: 16 -0.891937363656E+02 -0.98186E-03 -0.17571E-04 760 0.918E-02 0.255E-02
DAV: 17 -0.891949255310E+02 -0.11892E-02 -0.25107E-04 628 0.815E-02 0.126E-02
DAV: 18 -0.891954300571E+02 -0.50453E-03 -0.48201E-05 608 0.370E-02 0.878E-03
DAV: 19 -0.891956109167E+02 -0.18086E-03 -0.29676E-05 528 0.302E-02 0.496E-03
DAV: 20 -0.891957158236E+02 -0.10491E-03 -0.16259E-05 430 0.187E-02 0.584E-03
DAV: 21 -0.891957316348E+02 -0.15811E-04 -0.24122E-06 504 0.101E-02 0.442E-03
DAV: 22 -0.891957431554E+02 -0.11521E-04 -0.86051E-06 409 0.192E-02 0.320E-03
DAV: 23 -0.891957435858E+02 -0.43034E-06 -0.17366E-06 544 0.885E-03
1 F= -.89195744E+02 E0= -.89199679E+02 d E =0.118066E-01