iterations/neb0_image07_iter156_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 0.370654366930E+03 0.37065E+03 -0.14313E+04 632 0.799E+02
DAV: 2 0.324421545152E+01 -0.36741E+03 -0.35488E+03 869 0.194E+02
DAV: 3 -0.963711091989E+02 -0.99615E+02 -0.99290E+02 685 0.116E+02
DAV: 4 -0.100946511333E+03 -0.45754E+01 -0.45633E+01 696 0.282E+01
DAV: 5 -0.101041168316E+03 -0.94657E-01 -0.94586E-01 736 0.361E+00 0.225E+01
DAV: 6 -0.924939322603E+02 0.85472E+01 -0.30502E+01 728 0.298E+01 0.118E+01
DAV: 7 -0.916585718081E+02 0.83536E+00 -0.17241E+00 712 0.617E+00 0.477E+00
DAV: 8 -0.912908628977E+02 0.36771E+00 -0.52274E-01 728 0.394E+00 0.164E+00
DAV: 9 -0.912091714101E+02 0.81691E-01 -0.12966E-01 728 0.158E+00 0.422E-01
DAV: 10 -0.912007446524E+02 0.84268E-02 -0.40103E-02 768 0.106E+00 0.288E-01
DAV: 11 -0.912049762599E+02 -0.42316E-02 -0.11082E-02 608 0.559E-01 0.138E-01
DAV: 12 -0.912075063773E+02 -0.25301E-02 -0.21497E-03 642 0.245E-01 0.930E-02
DAV: 13 -0.912115244466E+02 -0.40181E-02 -0.17433E-03 639 0.216E-01 0.510E-02
DAV: 14 -0.912138685754E+02 -0.23441E-02 -0.37190E-04 840 0.150E-01 0.285E-02
DAV: 15 -0.912162282141E+02 -0.23596E-02 -0.36110E-04 652 0.889E-02 0.292E-02
DAV: 16 -0.912172676611E+02 -0.10394E-02 -0.10721E-04 688 0.583E-02 0.113E-02
DAV: 17 -0.912180853149E+02 -0.81765E-03 -0.13043E-04 663 0.548E-02 0.149E-02
DAV: 18 -0.912182445027E+02 -0.15919E-03 -0.32298E-05 624 0.439E-02 0.665E-03
DAV: 19 -0.912182897920E+02 -0.45289E-04 -0.17206E-05 544 0.223E-02 0.739E-03
DAV: 20 -0.912183480386E+02 -0.58247E-04 -0.82459E-06 417 0.185E-02 0.306E-03
DAV: 21 -0.912183745927E+02 -0.26554E-04 -0.67049E-06 455 0.145E-02 0.247E-03
DAV: 22 -0.912183824901E+02 -0.78974E-05 -0.12215E-06 477 0.780E-03
1 F= -.91218382E+02 E0= -.91223232E+02 d E =0.145498E-01