./iterations/neb0_image04_iter198_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 0.365338477561E+03 0.36534E+03 -0.14322E+04 632 0.799E+02
DAV: 2 0.182547060143E+01 -0.36351E+03 -0.35084E+03 861 0.194E+02
DAV: 3 -0.959265444668E+02 -0.97752E+02 -0.97448E+02 661 0.116E+02
DAV: 4 -0.100254212906E+03 -0.43277E+01 -0.43189E+01 712 0.281E+01
DAV: 5 -0.100338150573E+03 -0.83938E-01 -0.83908E-01 720 0.352E+00 0.223E+01
DAV: 6 -0.916552725820E+02 0.86829E+01 -0.31107E+01 685 0.297E+01 0.116E+01
DAV: 7 -0.907986041905E+02 0.85667E+00 -0.17794E+00 704 0.644E+00 0.483E+00
DAV: 8 -0.903853439886E+02 0.41326E+00 -0.55828E-01 704 0.443E+00 0.170E+00
DAV: 9 -0.902935372890E+02 0.91807E-01 -0.13691E-01 720 0.197E+00 0.526E-01
DAV: 10 -0.902810329256E+02 0.12504E-01 -0.35538E-02 712 0.970E-01 0.346E-01
DAV: 11 -0.902830836152E+02 -0.20507E-02 -0.10600E-02 696 0.606E-01 0.248E-01
DAV: 12 -0.902851056191E+02 -0.20220E-02 -0.32847E-03 776 0.536E-01 0.135E-01
DAV: 13 -0.902886554407E+02 -0.35498E-02 -0.27593E-03 615 0.336E-01 0.972E-02
DAV: 14 -0.902926185128E+02 -0.39631E-02 -0.15920E-03 623 0.214E-01 0.523E-02
DAV: 15 -0.902951281680E+02 -0.25097E-02 -0.51473E-04 661 0.114E-01 0.420E-02
DAV: 16 -0.902974096809E+02 -0.22815E-02 -0.43388E-04 784 0.142E-01 0.243E-02
DAV: 17 -0.902984901627E+02 -0.10805E-02 -0.13492E-04 672 0.548E-02 0.246E-02
DAV: 18 -0.902990640553E+02 -0.57389E-03 -0.10942E-04 722 0.621E-02 0.136E-02
DAV: 19 -0.902993248661E+02 -0.26081E-03 -0.43032E-05 669 0.416E-02 0.852E-03
DAV: 20 -0.902994306981E+02 -0.10583E-03 -0.15045E-05 461 0.232E-02 0.519E-03
DAV: 21 -0.902995064361E+02 -0.75738E-04 -0.13426E-05 423 0.175E-02 0.321E-03
DAV: 22 -0.902995382751E+02 -0.31839E-04 -0.45835E-06 477 0.112E-02 0.171E-03
DAV: 23 -0.902995461919E+02 -0.79168E-05 -0.25961E-06 466 0.923E-03
1 F= -.90299546E+02 E0= -.90307858E+02 d E =0.249351E-01