iterations/neb0_image05_iter36_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 0.371018795826E+03 0.37102E+03 -0.14305E+04 632 0.799E+02
DAV: 2 0.444131043128E+01 -0.36658E+03 -0.35534E+03 874 0.194E+02
DAV: 3 -0.931907501376E+02 -0.97632E+02 -0.97238E+02 621 0.116E+02
DAV: 4 -0.982020189381E+02 -0.50113E+01 -0.49951E+01 712 0.307E+01
DAV: 5 -0.983092745349E+02 -0.10726E+00 -0.10722E+00 704 0.401E+00 0.220E+01
DAV: 6 -0.899241333698E+02 0.83851E+01 -0.29929E+01 693 0.299E+01 0.114E+01
DAV: 7 -0.891060964449E+02 0.81804E+00 -0.16909E+00 712 0.664E+00 0.474E+00
DAV: 8 -0.887250568688E+02 0.38104E+00 -0.59812E-01 712 0.431E+00 0.165E+00
DAV: 9 -0.886347729613E+02 0.90284E-01 -0.13585E-01 720 0.171E+00 0.458E-01
DAV: 10 -0.886243480272E+02 0.10425E-01 -0.23486E-02 784 0.786E-01 0.287E-01
DAV: 11 -0.886270888349E+02 -0.27408E-02 -0.12194E-02 602 0.746E-01 0.167E-01
DAV: 12 -0.886288262246E+02 -0.17374E-02 -0.31548E-03 840 0.392E-01 0.104E-01
DAV: 13 -0.886328260009E+02 -0.39998E-02 -0.32767E-03 618 0.324E-01 0.935E-02
DAV: 14 -0.886354961582E+02 -0.26702E-02 -0.64422E-04 800 0.212E-01 0.498E-02
DAV: 15 -0.886385132848E+02 -0.30171E-02 -0.90445E-04 639 0.156E-01 0.386E-02
DAV: 16 -0.886401503693E+02 -0.16371E-02 -0.22823E-04 845 0.103E-01 0.228E-02
DAV: 17 -0.886414033223E+02 -0.12530E-02 -0.25349E-04 641 0.898E-02 0.205E-02
DAV: 18 -0.886418692292E+02 -0.46591E-03 -0.42844E-05 621 0.446E-02 0.128E-02
DAV: 19 -0.886421026305E+02 -0.23340E-03 -0.67416E-05 644 0.471E-02 0.809E-03
DAV: 20 -0.886422192005E+02 -0.11657E-03 -0.10556E-05 469 0.233E-02 0.390E-03
DAV: 21 -0.886422729825E+02 -0.53782E-04 -0.87343E-06 442 0.136E-02 0.164E-03
DAV: 22 -0.886422914555E+02 -0.18473E-04 -0.40063E-06 482 0.968E-03 0.187E-03
DAV: 23 -0.886422967646E+02 -0.53091E-05 -0.11471E-06 448 0.596E-03
1 F= -.88642297E+02 E0= -.88650878E+02 d E =0.257437E-01