iterations/neb0_image07_iter7_OSZICAR.out output for 43: 3.6A-->1.6A 715(amd-3) Si-CH2H...H2HC-Si two dimer closed (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.150823230348E+04 0.15082E+04 -0.43568E+04 322 0.697E+02
DAV: 2 0.249604907965E+03 -0.12586E+04 -0.11837E+04 428 0.164E+02
DAV: 3 -0.355945815012E+03 -0.60555E+03 -0.60160E+03 348 0.117E+02
DAV: 4 -0.432987751178E+03 -0.77042E+02 -0.76719E+02 316 0.531E+01
DAV: 5 -0.434795047030E+03 -0.18073E+01 -0.18043E+01 332 0.817E+00 0.427E+01
DAV: 6 -0.388750042754E+03 0.46045E+02 -0.14903E+02 324 0.285E+01 0.209E+01
DAV: 7 -0.385236892249E+03 0.35132E+01 -0.12890E+01 340 0.777E+00 0.104E+01
DAV: 8 -0.383817213366E+03 0.14197E+01 -0.26124E+00 332 0.393E+00 0.428E+00
DAV: 9 -0.383254767765E+03 0.56245E+00 -0.61433E-01 332 0.194E+00 0.100E+00
DAV: 10 -0.383192687267E+03 0.62080E-01 -0.18458E-01 340 0.106E+00 0.784E-01
DAV: 11 -0.383181521768E+03 0.11165E-01 -0.57168E-02 324 0.467E-01 0.648E-01
DAV: 12 -0.383163332465E+03 0.18189E-01 -0.45664E-02 316 0.403E-01 0.442E-01
DAV: 13 -0.383155680236E+03 0.76522E-02 -0.39725E-02 308 0.348E-01 0.307E-01
DAV: 14 -0.383155231727E+03 0.44851E-03 -0.45647E-02 316 0.352E-01 0.366E-01
DAV: 15 -0.383158730254E+03 -0.34985E-02 -0.15997E-02 308 0.264E-01 0.187E-01
DAV: 16 -0.383168890432E+03 -0.10160E-01 -0.33953E-03 300 0.151E-01 0.148E-01
DAV: 17 -0.383182028042E+03 -0.13138E-01 -0.32248E-03 308 0.154E-01 0.114E-01
DAV: 18 -0.383189289224E+03 -0.72612E-02 -0.17019E-03 324 0.132E-01 0.751E-02
DAV: 19 -0.383197313885E+03 -0.80247E-02 -0.10564E-03 316 0.828E-02 0.519E-02
DAV: 20 -0.383204070851E+03 -0.67570E-02 -0.44044E-04 308 0.530E-02 0.402E-02
DAV: 21 -0.383206854735E+03 -0.27839E-02 -0.15926E-04 324 0.304E-02 0.181E-02
DAV: 22 -0.383209805729E+03 -0.29510E-02 -0.16313E-04 300 0.235E-02 0.116E-02
DAV: 23 -0.383210832077E+03 -0.10263E-02 -0.42586E-05 276 0.131E-02 0.880E-03
DAV: 24 -0.383211456966E+03 -0.62489E-03 -0.35055E-05 276 0.126E-02 0.574E-03
DAV: 25 -0.383211755546E+03 -0.29858E-03 -0.91652E-06 220 0.736E-03 0.414E-03
DAV: 26 -0.383211898164E+03 -0.14262E-03 -0.67647E-06 228 0.535E-03 0.179E-03
DAV: 27 -0.383212000448E+03 -0.10228E-03 -0.32580E-06 212 0.323E-03 0.110E-03
DAV: 28 -0.383212051112E+03 -0.50664E-04 -0.21231E-06 220 0.261E-03 0.915E-04
DAV: 29 -0.383212079281E+03 -0.28169E-04 -0.13809E-06 212 0.201E-03 0.619E-04
DAV: 30 -0.383212089795E+03 -0.10514E-04 -0.55314E-07 228 0.160E-03 0.300E-04
DAV: 31 -0.383212094619E+03 -0.48243E-05 -0.28487E-07 220 0.983E-04
1 F= -.38321209E+03 E0= -.38322541E+03 d E =0.399409E-01