What is XSF (xcrysden)?
What is XSF (xcrysden)?
Introduction to XSF format. The XSF format is internal XCrySDen structure format. XSF stands for XCrySDen Structure File. It is used to describe (i) molecular and crystal structure, (ii) forces acting on constituent atoms, and (iii) scalar fields (for example: charge density, electrostatic potential). The main attributes of XSF format are:
What is the XSF file extension?
XSF stands for XCrySDen Structure File. It is used to describe (i) molecular and crystal structure, (ii) forces acting on constituent atoms, and (iii) scalar fields (for example: charge density, electrostatic potential). The main attributes of XSF format are:
What are the main attributes of XSF format?
The main attributes of XSF format are: the XSF formatted file is composed from various sections sandwich keyword: section begins with a begin-keyword (i.e. BEGIN_keyword) and ends with an end-keyword (i.e. END_keyword ), where keyword is one among keywords. the comment-lines start with the “#” character (see below)
Can I specify multiple snapshots of a structure in XSF format?
It is possible to specify several snapshots of a structure in the XSF format. For example: the file can contain the data for all structures that were created during an optimization run or molecular-dynamics run. These structures can be displayed as animation by XCrySDen.
