26 lines
512 B
Markdown
26 lines
512 B
Markdown
This directory contains tutorials for various aspects of CONQUEST.
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* Static
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* Introduction (input, output, SCF)
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* Parameters to converge
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* Analysis: DOS, charge and orbital densities
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* Structural relaxation
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* L-BFGS
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* CG
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* Quenched MD
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* Cell optimisation
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* Molecular dynamics
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* NVE
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* NVT with SVR
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* NVT with NHC
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* NPT with SVR/PR
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* NPT with NHC
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* Continuing a run
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* Basis sets
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* LFD and self-consistency
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* Optimisation
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* Advanced topics
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* Spin initialisation
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* Linear scaling
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