vcrelax_vasp
Syntax: vcrelax_vasp [options] command_prefix
where options are
| -vc | Voronoi Cell Minimization method |
| -vcop "options" | Options passed to the vcminimizer command (see vcminimizer -h). |
| -mk | Make auxiliary vasp input files (vaspf.wrap, vaspstatic.wrap, vaspfc.wrap) from vasp.wrap. Do not run anything. |
| -ex | Only extract data form VASP files. Do not run anything. |
| -etol [real] | The stopping criterion in the gradient descent algorithm for energy minimization (default: 0.001 eV). |
| -maxit [int] | Maximum number of iterations in the minimization procedure (default: 1000). |
| -cln | Clean files for a full restart. |
| -cip | Continue (an prior run) if possible (only implemented for -vc option). |
| -fc | Calculate the force-constant tensor for the final relaxed structure. |
| -h | Display more help. |
| command_prefix | Prefix needed for vasp to run on a remote machine or in parallel (e.g. mpirun). |