Dacapo

If looking for an efficient total energy program based on density functional theory, then "Dacapo" is a solid choice. The program, developed by FEV Motorentechnik GmbH, provides a robust solution for calculations using the Atomic Simulation Environment (ASE). It's particularly renowned for its ability to describe the core-electron interactions with Vanderbilt ultrasoft pseudo-potentials and its use of a plane wave basis for the valence electronic states.

The newest release, version 1.04.0001, includes updates and improvements that make it a go-to resource in the Education category, specifically under Science Tools. The latest version can be easily acquired, with file names such as dacapo.exe and Dacapo_V1-04-02_081014.exe readily available for download. The IconA8F005052.exe file is also part of this comprehensive package. Previous versions, such as 1.4, and 1.0, are also accessible for those needing compatibility.

"Dacapo" runs smoothly on Windows 7, ensuring that users with this operating system can benefit from its features. However, it’s worth checking the Pseudopotential_Library page for an overview to grasp the extensive capabilities fully.

Pros:

• Free download makes it accessible to all users.
• Comprehensive total energy calculations using density functional theory.
• Compatibility with Windows 7.
• Developed by a reputable company, FEV Motorentechnik GmbH.
• Supports valence electronic state calculations and core-electron interactions effectively.

Cons:

• May not be compatible with newer operating systems beyond Windows 7.
• Requires a solid understanding of density functional theory to utilize its full potential.

Overall, "Dacapo" remains a valuable tool in scientific and educational settings, providing advanced functionalities for energy calculations.

You may want to check out more software, such as CAEFEM, Quarter Mile Math Level 1 or Photometric Toolbox32, which might be similar to Dacapo.