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How-to guides

Practical guides to run QMCPACK and use conversion tools

Sample input file: Complete workflow

Complete workflow: optimization - vmc -dmc 

Restarting from previous runs

How to restart from a previous run

Sample Optimization Block

Discussion on the optimization algorithms and the parameters that control optimization

Accelerating DMC calculations

Show how to use multiple qmc/@method='dmc' to speed up the equilibration

Where are the results?

Description of the output files and methods and tools for analysis

Different methods for setting Samples field

Setting sample parameter for optimizations and DMC

PWSCF converter

How to install the pw2qmcpack.x converter for espresso-4.1

Converting Pseudopotentials using ppconvert

QMCTools

working with external packages, e.g., Gaussian

Symmetrizing single particle orbitals for excited state calculations

Using a routine to rotate orbitals to definite symmetries.