VASP6.6.1 VTST ICHAIN4 real NH3 constrained-path example120K/10A/8fullbeads. Hfixed,NxyzFREE(actualPOSCAR),initialpathalongz. Native0/82.686s,3calls,Lanczos eig-1.341760,pathfmax.0012016<.02.54checks inclallSCFEDIFF1e-6,noncollapsed.289296A,actualspring+energyledger. utSUMU0isstoredbaseeffectiveenergy;utSUMUspiscurrentfinite-displacementprobe spring,notnecessarilysamegeometry. No prefactor/rate/temperature/beadconvergence claim. Initialcoordinatesfrom140previousrealSCFenergy/forcepoints viaevenpolynomialONLYinitializer;onlycurrentVASPactualoutputsarephysicalresults. Readdata:bash read.sh;bash plot.sh. Freshnative:python3 prepare.py;copylicensedHthenN POTCARtowork-new/POTCAR;cd work-new;sbatch ../submit.sh. Readnew:bash read.sh work-new. No binary/POTCAR/WAVECAR/credentials. No native repeatedforpackaging.
