Page Index - Probe-Particle/PPSTM GitHub Wiki

40 page(s) in this GitHub Wiki:

• Home
• Probe Particle Scanning Tunnelling Microscopy (PPSTM) simulation package:
• Overview:
• Compilation:
• Software requirements
• Developers:
• Literature:
• Preparing Inputs with DFT codes:
• PPSTM_simple.py
• Overview:
• DFT codes inputs:
• Types of calculations/scans:
• Periodic Boundary Conditions:
• Meaning of sample orbitals:
• Advanced features:
• Outputs:
• Tip model and its orbitals:
• Atoms model plotting:
• GUI for PPSTM code
• USAGE
• EXAMPLE
• INPUT PART
• RUNNING OPTIONS PART
• PLOTTING PART
• RELAXED SCAN
• ADVANCED OPTIONS
• Scripting and Development:
• Examples and Tests :
• TODO :
• Contact:
• Creating Inputs
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• Prepare for the flexible tip simulations
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• Reading parameters
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• Running parameters
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• Tests
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