Zori manual
From Zori Wiki
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Zori Manual
As you see, this is a work in progress.
The Zori manual is divided into the following sections:
- Ab-intio calculations
- Miscellaneous (Take stuff out from here and put it in different categories)
- Preparing optimization runs with zopt (incomplete and outdated)
- Overview of running QMC calculations
- Generation of Trial Wave Function
- Generation of Walkers
- Starting a run with Bad Walkers
- Optimization of correlation function
- Running Variational Monte Carlo
- Running Diffusion Monte Carlo
- Running ZOPI-ZOri Processing Interface
- Data Analysis
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Input files explained (XML Keyword description)
Effective Core Potentials (ECP's) Correlation Functions VMC DMC creating walkers optimization
