./neb0_image06_OSZICAR.out output for 41: 3.3A-->1.3A (Job 121) O-H...N hydrogen bond by TSA-OH, TSA-NH2 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.405165207509E+03 0.40517E+03 -0.15905E+04 424 0.706E+02
DAV: 2 -0.124699300815E+02 -0.41764E+03 -0.39865E+03 601 0.166E+02
DAV: 3 -0.140377390384E+03 -0.12791E+03 -0.12725E+03 536 0.974E+01
DAV: 4 -0.148976764473E+03 -0.85994E+01 -0.85799E+01 472 0.310E+01
DAV: 5 -0.149211312490E+03 -0.23455E+00 -0.23442E+00 528 0.471E+00 0.248E+01
DAV: 6 -0.136863546135E+03 0.12348E+02 -0.37047E+01 443 0.254E+01 0.131E+01
DAV: 7 -0.135400612147E+03 0.14629E+01 -0.47210E+00 496 0.887E+00 0.600E+00
DAV: 8 -0.134770722989E+03 0.62989E+00 -0.92334E-01 488 0.435E+00 0.207E+00
DAV: 9 -0.134612599925E+03 0.15812E+00 -0.27927E-01 480 0.211E+00 0.588E-01
DAV: 10 -0.134592015933E+03 0.20584E-01 -0.49988E-02 488 0.939E-01 0.400E-01
DAV: 11 -0.134582357253E+03 0.96587E-02 -0.98145E-03 480 0.461E-01 0.162E-01
DAV: 12 -0.134577606585E+03 0.47507E-02 -0.73840E-03 480 0.332E-01 0.130E-01
DAV: 13 -0.134582169668E+03 -0.45631E-02 -0.62866E-03 457 0.352E-01 0.107E-01
DAV: 14 -0.134588472803E+03 -0.63031E-02 -0.27401E-03 456 0.232E-01 0.570E-02
DAV: 15 -0.134592270830E+03 -0.37980E-02 -0.12714E-03 504 0.143E-01 0.526E-02
DAV: 16 -0.134596288513E+03 -0.40177E-02 -0.40974E-04 480 0.789E-02 0.247E-02
DAV: 17 -0.134599538800E+03 -0.32503E-02 -0.27003E-04 464 0.540E-02 0.150E-02
DAV: 18 -0.134601340883E+03 -0.18021E-02 -0.16219E-04 488 0.420E-02 0.122E-02
DAV: 19 -0.134602212633E+03 -0.87175E-03 -0.54817E-05 448 0.260E-02 0.619E-03
DAV: 20 -0.134602667943E+03 -0.45531E-03 -0.37252E-05 409 0.197E-02 0.560E-03
DAV: 21 -0.134602827324E+03 -0.15938E-03 -0.81677E-06 336 0.132E-02 0.432E-03
DAV: 22 -0.134602895323E+03 -0.67999E-04 -0.10656E-05 329 0.127E-02 0.429E-03
DAV: 23 -0.134602903752E+03 -0.84284E-05 -0.26960E-06 368 0.747E-03
1 F= -.13460290E+03 E0= -.13460917E+03 d E =0.188123E-01