.\" DO NOT MODIFY THIS FILE!  It was generated by help2man 1.49.2.
.TH VASP2CIF "1" "April 2022" "vasp2cif 2.0.0a5+dfsg" "User Commands"
.SH NAME
vasp2cif \- tool to make CIF format files out of VASP POSCAR+POTCAR/OUTCAR files
.SH SYNOPSIS
.B vasp2cif
[\fI\,options\/\fR]
.SH OPTIONS
.TP
\fB\-h\fR, \fB\-\-help\fR
show this help message and exit
.TP
\fB\-v\fR, \fB\-\-verbose\fR
Print CIF to stdout
.TP
\fB\-o\fR FILE, \fB\-\-output\fR=\fI\,FILE\/\fR
Save CIF to named file
.TP
\fB\-e\fR list of elements, \fB\-\-elements\fR=\fI\,list\/\fR of elements
Supply elements if no POTCAR is present. Example:
\fB\-\-elements=\fR"Fe,Co,Ni"
.TP
\fB\-\-occupancies\fR=\fI\,list\/\fR of occupanciess
Supply concentrations of elements. Must match the
elements in POSCAR. Example:
\fB\-\-occupancies=\fR"1.0,0.5,0.5"
.TP
\fB\-\-displacement\-vector\fR=\fI\,[x\/\fR,y,z]
A vector in relative coordinates with which to
displace all atoms before outputting to .cif file.
.TP
\fB\-\-findsym\-tolerance\fR=\fI\,FINDSYMTOL\/\fR
Tolerance used for FINDSYM (default=0, minimal value).
.TP
\fB\-\-no\-findsym\fR
Don't run FINDSYM to find symmetry of the crystal.