./iterations/neb0_image02_iter8_OSZICAR.out output for 3: 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
running
N E dE d eps ncg rms rms(c)
DAV: 1 0.144816212008E+04 0.14482E+04 -0.44194E+04 330 0.697E+02
DAV: 2 0.224500499299E+03 -0.12237E+04 -0.11470E+04 435 0.163E+02
DAV: 3 -0.362878858945E+03 -0.58738E+03 -0.58425E+03 345 0.114E+02
DAV: 4 -0.433472782558E+03 -0.70594E+02 -0.70358E+02 309 0.508E+01
DAV: 5 -0.435056873570E+03 -0.15841E+01 -0.15815E+01 318 0.781E+00 0.426E+01
DAV: 6 -0.389082554841E+03 0.45974E+02 -0.14803E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385605657342E+03 0.34769E+01 -0.13103E+01 345 0.777E+00 0.104E+01
DAV: 8 -0.384150657305E+03 0.14550E+01 -0.19773E+00 336 0.379E+00 0.434E+00
DAV: 9 -0.383603817302E+03 0.54684E+00 -0.14069E+00 354 0.240E+00 0.138E+00
DAV: 10 -0.383533600117E+03 0.70217E-01 -0.44598E-01 318 0.118E+00 0.109E+00
DAV: 11 -0.383508203554E+03 0.25397E-01 -0.18142E-01 345 0.601E-01 0.857E-01
DAV: 12 -0.383492260477E+03 0.15943E-01 -0.10582E-01 363 0.456E-01 0.673E-01
DAV: 13 -0.383464387742E+03 0.27873E-01 -0.33686E-02 318 0.461E-01 0.379E-01
DAV: 14 -0.383455846412E+03 0.85413E-02 -0.23677E-02 363 0.438E-01 0.478E-01
DAV: 15 -0.383456646379E+03 -0.79997E-03 -0.15453E-02 354 0.336E-01 0.408E-01
DAV: 16 -0.383459100981E+03 -0.24546E-02 -0.23511E-02 291 0.308E-01 0.279E-01
DAV: 17 -0.383465247802E+03 -0.61468E-02 -0.15206E-02 309 0.249E-01 0.353E-01
DAV: 18 -0.383468880626E+03 -0.36328E-02 -0.78176E-03 318 0.143E-01 0.900E-02
DAV: 19 -0.383480983875E+03 -0.12103E-01 -0.21736E-03 282 0.131E-01 0.124E-01
DAV: 20 -0.383490623878E+03 -0.96400E-02 -0.14081E-03 318 0.117E-01 0.138E-01
DAV: 21 -0.383494364726E+03 -0.37408E-02 -0.60503E-04 327 0.766E-02 0.354E-02
DAV: 22 -0.383498074095E+03 -0.37094E-02 -0.19612E-04 309 0.341E-02 0.472E-02
DAV: 23 -0.383502886908E+03 -0.48128E-02 -0.26888E-04 300 0.294E-02 0.188E-02
DAV: 24 -0.383505842075E+03 -0.29552E-02 -0.18736E-04 300 0.240E-02 0.127E-02
DAV: 25 -0.383506615865E+03 -0.77379E-03 -0.25218E-05 264 0.127E-02 0.168E-02
DAV: 26 -0.383507199235E+03 -0.58337E-03 -0.25630E-05 264 0.987E-03 0.108E-02
DAV: 27 -0.383507474486E+03 -0.27525E-03 -0.96321E-06 237 0.811E-03 0.513E-03
DAV: 28 -0.383507603877E+03 -0.12939E-03 -0.54037E-06 210 0.567E-03 0.455E-03
DAV: 29 -0.383507666731E+03 -0.62854E-04 -0.21499E-06 228 0.390E-03 0.361E-03
DAV: 30 -0.383507711251E+03 -0.44520E-04 -0.12559E-06 210 0.249E-03 0.238E-03
DAV: 31 -0.383507754341E+03 -0.43089E-04 -0.11810E-06 201 0.212E-03 0.937E-04
DAV: 32 -0.383507778082E+03 -0.23741E-04 -0.77327E-07 219 0.164E-03 0.659E-04
DAV: 33 -0.383507788074E+03 -0.99923E-05 -0.42131E-07 210 0.128E-03
1 F= -.38350779E+03 E0= -.38352428E+03 d E =0.494662E-01