iterations/neb0_image06_iter58_OSZICAR.out output for 3: !!! 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
terminated
N E dE d eps ncg rms rms(c)
DAV: 1 0.144796875773E+04 0.14480E+04 -0.44240E+04 330 0.697E+02
DAV: 2 0.231411463257E+03 -0.12166E+04 -0.11398E+04 417 0.163E+02
DAV: 3 -0.367416941333E+03 -0.59883E+03 -0.59542E+03 363 0.114E+02
DAV: 4 -0.432979997398E+03 -0.65563E+02 -0.65308E+02 309 0.475E+01
DAV: 5 -0.434408131603E+03 -0.14281E+01 -0.14259E+01 345 0.736E+00 0.428E+01
DAV: 6 -0.388396809211E+03 0.46011E+02 -0.15171E+02 309 0.288E+01 0.209E+01
DAV: 7 -0.384939517796E+03 0.34573E+01 -0.12732E+01 345 0.771E+00 0.104E+01
DAV: 8 -0.383473029602E+03 0.14665E+01 -0.20610E+00 327 0.382E+00 0.430E+00
DAV: 9 -0.382902690844E+03 0.57034E+00 -0.80247E-01 327 0.202E+00 0.105E+00
DAV: 10 -0.382844455775E+03 0.58235E-01 -0.12367E-01 336 0.880E-01 0.800E-01
DAV: 11 -0.382817366168E+03 0.27090E-01 -0.89892E-02 345 0.503E-01 0.638E-01
DAV: 12 -0.382790544082E+03 0.26822E-01 -0.13009E-01 318 0.552E-01 0.686E-01
DAV: 13 -0.382778555318E+03 0.11989E-01 -0.67706E-02 345 0.403E-01 0.229E-01
DAV: 14 -0.382781758583E+03 -0.32033E-02 -0.87605E-03 309 0.323E-01 0.214E-01
DAV: 15 -0.382786552894E+03 -0.47943E-02 -0.33528E-03 327 0.189E-01 0.137E-01
DAV: 16 -0.382798566057E+03 -0.12013E-01 -0.45840E-03 291 0.188E-01 0.146E-01
DAV: 17 -0.382804681877E+03 -0.61158E-02 -0.36969E-03 327 0.147E-01 0.128E-01
DAV: 18 -0.382810963097E+03 -0.62812E-02 -0.99381E-04 309 0.805E-02 0.615E-02
DAV: 19 -0.382817534610E+03 -0.65715E-02 -0.55642E-04 309 0.662E-02 0.339E-02
DAV: 20 -0.382824726215E+03 -0.71916E-02 -0.45525E-04 300 0.508E-02 0.321E-02
DAV: 21 -0.382829010784E+03 -0.42846E-02 -0.21841E-04 318 0.335E-02 0.226E-02
DAV: 22 -0.382832840616E+03 -0.38298E-02 -0.23402E-04 318 0.278E-02 0.128E-02
DAV: 23 -0.382833850727E+03 -0.10101E-02 -0.33689E-05 282 0.129E-02 0.900E-03
DAV: 24 -0.382834736805E+03 -0.88608E-03 -0.44999E-05 282 0.140E-02 0.673E-03
DAV: 25 -0.382834968882E+03 -0.23208E-03 -0.43719E-06 237 0.707E-03 0.365E-03
DAV: 26 -0.382835303946E+03 -0.33506E-03 -0.16200E-05 210 0.795E-03 0.373E-03
DAV: 27 -0.382835364776E+03 -0.60830E-04 -0.21815E-06 228 0.480E-03 0.173E-03
DAV: 28 -0.382835457369E+03 -0.92593E-04 -0.63104E-06 192 0.692E-03 0.401E-03
DAV: 29 -0.382835485778E+03 -0.28408E-04 -0.15739E-06 219 0.475E-03 0.204E-03
DAV: 30 -0.382835503187E+03 -0.17409E-04 -0.33656E-06 210 0.476E-03 0.189E-03
DAV: 31 -0.382835517543E+03 -0.14356E-04 -0.88396E-07 210 0.361E-03 0.434E-04
DAV: 32 -0.382835527837E+03 -0.10294E-04 -0.80508E-07 219 0.201E-03 0.987E-04
DAV: 33 -0.382835531532E+03 -0.36957E-05 -0.15945E-07 219 0.943E-04
1 F= -.38283553E+03 E0= -.38285248E+03 d E =0.508536E-01