NoSpherA2

• NoSpherA2: Non-Spherical Atomic Form Factors in Olex2
• NoSpherA2: Atoms are not spheres! Non-Spherical Atoms in Olex2.
• NoSpherA2 Refinement: Selecting your Settings for the Refinement setup
• NoSpherA2 Properties: Visualizing results based on your wavefunction
• Diagnosing Problems: When things go wrong with NoSpherA2
• Frequently Asked Questions: Selected questions that occurred.
• Hydrogen Atom Positions and ADPs: Hydrogen Atom Positions and Atomic Discplacement Parameters (ADPs) can not be determined from X-ray diffraction, are they calculated?
• Goodness of Fit: What does the Goodness of Fit tell me in NoSpherA2? Why is it sometimes worse than in the IAM?
• Constraints & Restraints: Can I use Constraints and Restraints with NoSPherA2?
• Hardware Requirements: What are recommended specifications to run NoSpherA2?
• Localised Calculations: Can I perform local QM calculations?
• Molecular Orbitals: Can I calculate localised Molecular Orbitals?
• ORCA: How do I install ORCA?
• Basis Set: When to use which Basis Set
• Errors during partitioning: What to do in case of errors during the partitioning (NoSpherA2-Output)
• Errors during the wavefunction calculation: What to do in case of errors during the wavefunction calculation

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