AiiDA Siesta Plugin
latest
  • Installation and dependences
  • Calculations
  • Utils
  • Workflows
    • Base workflow
    • Bandgap workflow
    • Equation Of State workflow
    • STM workflow
    • Iterator workflow
    • Converger workflow
    • Sequential Converger workflow
    • Basis optimization
    • Epsilon workflow
    • NEB Base workflow
  • Tutorials
AiiDA Siesta Plugin
  • Docs »
  • Workflows
  • Edit on GitHub

Workflows¶

In this section we document the AiiDA WorkChains distributed in aiida-siesta. They are tools that automatize some simple tasks that are commonly faced during the the research process. The WorkChains are constructed using exclusively the calculations plugin described in the section “Calculations”.

  • Base workflow
    • Description
    • Supported Siesta versions
    • Inputs
    • Relaxation and bands
    • Submitting the WorkChain
    • Outputs
    • Error handling
    • Protocol system
  • Bandgap workflow
    • Description
    • Supported Siesta versions
    • Inputs
    • Outputs
    • Protocol system
  • Equation Of State workflow
    • Description
    • Supported Siesta versions
    • Inputs
    • Outputs
    • Protocol system
  • STM workflow
    • Description
    • Supported Siesta versions
    • Inputs
    • Outputs
    • Protocol system
  • Iterator workflow
    • Description
    • Supported Siesta versions
    • Inputs
    • Outputs
    • Protocol system
  • Converger workflow
    • Description
    • Supported Siesta versions
    • Inputs
    • Outputs
    • Protocol system
  • Sequential Converger workflow
    • Description
    • Supported Siesta versions
    • Inputs
    • Outputs
    • Protocol system
  • Basis optimization
    • Description
    • Supported Siesta versions
    • SimplexBasisOptimization
      • Inputs
      • Outputs
    • TwoStepsBasisOpt
      • Inputs
      • Outputs
    • BasisOptimizationWorkChain
      • Inputs
      • Outputs
    • Protocol system
  • Epsilon workflow
    • Description
    • Supported Siesta versions
    • Inputs
    • Outputs
    • Protocol system
  • NEB Base workflow
    • Description
    • Supported Siesta versions
    • Inputs
    • Outputs
    • Protocol system
Next Previous

© Copyright 2020, V.M. Garcia-Suarez, A. Garcia, E. Bosoni, V. Dikan, P. Febrer Revision 76d04250.

Built with Sphinx using a theme provided by Read the Docs.
Read the Docs v: latest
Versions
latest
stable
v2.0.0
v1.4.0
v1.3.0
v1.2.0
v1.1.1
v1.1.0
v1.0.1
v1.0.0
v0.12
Downloads
pdf
On Read the Docs
Project Home
Builds

Free document hosting provided by Read the Docs.