Command lines while VASP is running
outi | reads and prints iterations for the optimization of the nuclei (first number) and electron density (second number)to screen from the OUTCAR file |
outf | reads and prints the FORCE on nuclei to the screen from the OUTCAR file |
oute | reads and prints the ENERGY of fixed nuclei to the screen from the OUTCAR file |
vfin.pl | When running this script type vfin.pl directory_name where directory_name is the name of directory to store the output files for a VASP run. When vfin.pl is run it will compress your VASP outfput files and place them in directory_name. It will also leave the four VASP starting files in your current directory. The POSCAR will contain the last configuration from the previous optimization |
vef.pl | reads the OUTCAR and prints FORCE and ENERGY to file fe.dat |
xdat2xyz.pl | reads the XDATCAR and creates a movie (movie.xyz) of the run |
potpaw | prints the current atoms in your POTCAR files |
getpot | creates a POTCAR file. When running getpot type getpot A B .. where A, B ... are the atomic symbols for the elements in your simulation. |
To learn more about helpful scripts available on the cluster check out this webpage.