How to use DMDWDepending on the objectives and expertise of the user, DMDW can be used in different ways:
- FEFF integrated version: FEFF users are referred to the DEBYE card section in the FEFF documentation for detailed instructions on how to use the fully integrated dmdw module. This module takes a dynamical matrix file and calculates DW factors for either EXAFS or XANES. In addition, for users with no experience in the calculation of dynamical matrices, JFEFF, the FEFF GUI offers a transparent way to interface with Cloud Computing versions of FEFF and ABINIT that automate the process.
- AI2PS version: DMDW relies on dynamical matrices generated by other codes. Thus, to ease the learning curve required to obtain the dynamical matrices we have developed AI2PS, a program that partially automates the process. Users with little expertise should refer to the AI2PS project.
- Standalone version: As a standalone program, DMDW has many capabilities for calculating vibrational properties after a dynamical matrix is available. The User’s Guide explains the input, output and data file formats in detail, while the included tutorials are intended as a quick start guide.
For help please contact Dr. Fernando Vila at email@example.com