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Job control (c-shell scripts)
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Detailed description of the
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Fixed-spin-moment (FSM) calculations
Shell scripts for running programs
Job control (c-shell scripts)
Main execution script (x_lapw)
Job control for initialization (init_lapw)
Job control for iteration (run_lapw or runsp_lapw)
Utility scripts
Save a calculation (save_lapw)
Restoring a calculation (restore_lapw)
Remove unneccessary files (clean_lapw)
scfmonitor_lapw
Check parallel execution (testpara_lapw)
Check parallel execution of lapw1 (testpara1_lapw)
Check parallel execution of lapw2 (testpara2_lapw)
grepline_lapw
checkparam_lapw
initso_lapw
Structure optimization
Lattice parameters (Volume or c/a)
Minimization of internal parameters (min_lapw)
Running programs in parallel mode
Introduction
Requirements, Configuration
How to use the parallel version
The .machines file
How the list of k-points is split
Flow chart of the parallel scripts
Getting on-line help
Interface scripts
eplot_lapw
dosplot_lapw
specplot_lapw
rhoplot_lapw
opticplot_lapw
2000-04-11