The oneoff_optimize_1d Program
oneoff_optimize_1d is a program which builds off of the core of the oneoff_1d program. Instead of calculating the Rasbha spin-orbit coupling of the first subband of the specified structure, it numerically optimizes the structure, adjusting the well region as specified until the Rasbha spin-orbit coupling magnitude is maximum.
Synopsis
Usage:
oneoff_optimize_1d [OPTION...] - sets up a structure for k-dot-p calculations
Help Options:
-h, --help Show help options
Application Options:
-v, --version Print version information about this program
-m, --matdb Use an alternate materials database file.
-p, --parameter Provide a template parameter argument, in the form param,value (single value) or param,start,stop,step (sequence)
-o, --optmat Material name specifying the region to be optimized
-1, --mat1 Material name specifying one material to use in the optimizer. Must be of the form mata/x/matb for alloys of MatA_x MatB_{1-x}.
-0, --mat0 Material name specifying the other material to be used in the optimizer. Must be of the form mata/x/matb for alloys of MatA_x MatB_{1-x}.
-s, --startingpoints Number of random starting structures
-b, --blocksize Size of a block of material in gridsites (optimization is done in blocks for accuracy; ignored if num_blocks is set to a nonzero value)
-B, --num_blocks Number of blocks to use (leave unspecified to use blocksize instead)
-S, --seed Seed to use for the random number generator (to reproduce a run; default is random)
-x, --minx Minimum allowable alloying for continuous alloying. (default is 0; ignored for digital alloys)
-X, --maxx Maximum allowable alloying for continuous alloying (default is 1; ignored for digital alloys)
-u, --multiplier Alloying step multiplier (sets the next alloying stepsize after a successful optimization at one alloying stepsize) for continuous alloying (ignored for digital alloys)
-t, --stepsize Initial alloying step size (how much to change x for the first optimization step; subsequent steps are set by stepsize=multiplier*stepsize) for continuous alloying (ignored for digital alloys)
-T, --converged_stepsize Consider alloying converged when stepsize reaches this value or smaller for continuous alloying (ignored for digital alloys)
-a, --assignments Provide initial material assignments. Can be a single float, a comma-separated list of floats, or a function. If digital alloying, 0 <= v < 0.5 is assigned 0; 0.5 <= v <= 1.0 is assigned 1.
-c, --continuous Do a continuous optimization, not a digital alloying. NOTE that mat1 and mat2 must be a single material, not an alloy
--compare_noefield Instead of simply optimizing alpha, optimize the *change* in alpha between the structure as specified and the structure with no applied electric field.
In-Depth Discussion
Page last modified Friday, 10-Jun-2011 14:17:00 EDT