<div>Hello,All<br></div><div><br></div> I wonder how to understand
local or periodic e-fields. I think it's possible periodic e-fields
are periodic in position.
It comes up periodically. And I'm trying to make a linear e-field, it's going to be varying at some time, and it's going to be zero at some time.But it turns out that it looks like the e-field is constant throughout the process.<div><div>&FORCE_EVAL</div><div> METHOD Quickstep</div><div> &DFT</div><div> &EFIELD</div><div> INTENSITY 0.02</div><div> POLARISATION 0 1 0</div><div> &RAMP_ENV</div><div> START_STEP_IN 10000</div><div> END_STEP_IN 20000</div><div> START_STEP_OUT 30000</div><div> END_STEP_OUT 40000</div><div> &END</div><div> &END</div><div>&POISSON</div><div> PERIODIC X</div><div> POISSON_SOLVER MT</div><div> &MT</div><div> ALPHA 7.0</div><div> REL_CUTOFF 1</div><div> &END MT</div><div> &END POISSON</div><div> &QS</div><div> EPS_DEFAULT 1.0E-12</div><div> EPS_PGF_ORB 1.0E-12</div><div> METHOD xTB</div><div> &xTB</div><div>CHECK_ATOMIC_CHARGES F</div><div> &PARAMETER</div><div> DISPERSION_PARAMETER_FILE dftd3.dat</div><div> &END PARAMETER</div><div> &END</div><div> &END QS</div><div> &SCF</div><div> SCF_GUESS MOPAC</div><div> EPS_SCF 1.e-4</div><div> &OT</div><div> PRECONDITIONER FULL_SINGLE_INVERSE</div><div> MINIMIZER DIIS</div><div> &END</div><div> &OUTER_SCF</div><div> MAX_SCF 30</div><div> EPS_SCF 1.e-4</div><div> &END</div><div> MAX_SCF 100</div><div> &END SCF</div><div> &END DFT</div><div> &SUBSYS</div><div> &CELL</div><div> ABC 13.042 24 0.2</div><div> PERIODIC X</div><div> &END CELL</div><div> &TOPOLOGY</div><div> COORD_FILE_FORMAT PDB</div><div> COORD_FILE_NAME h108nve.pdb</div><div> &END TOPOLOGY</div><div> &END SUBSYS</div><div>&END FORCE_EVAL</div><div>&GLOBAL</div><div> PROJECT h</div><div> RUN_TYPE MD</div><div> PRINT_LEVEL LOW</div><div>&END GLOBAL</div><div>&MOTION</div><div> &MD</div><div> ENSEMBLE NVE</div><div> STEPS 50000</div><div> TIMESTEP 1</div><div> TEMPERATURE 300.0</div><div> &END MD</div><div>&END MOTION</div><div><br></div><div><div>Best wishes, </div><div>Evelyn</div></div></div>