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CINEMAS-components:

  • Components of CINEMAS application
    • CASCADE
      • Workflows
        • Color coding of workflows
        • Copy/Paste feature of workflows
        • ‘Mark-as-important’ feature
        • Import Calculations
        • Utility
      • Automatic Modules
        • Band-structure Module
        • DOS Module
        • Phonopy
        • Formation Energy Module
      • Connections
      • Queue
      • Python Editor
    • CINEMAS-view
      • Structure Visualizer
      • Structure Manager
      • Fermi Surface Visualizer
      • Robocrystallographer
      • Visualize magnetic configuration
        • How to visualize magnetic configuration of atoms from an initial or a computed structure(Mag-View)
      • Visualize forces on a computes structure
        • How to visualize forces on atoms from a computed structure(Force-View)
    • CINEMAS-plot
      • CINEMAS-plot tables
      • CINEMAS-plot graphs
    • CINEMAS-draw
      • More about CINEMAS-draw

Download CINEMAS:

  • How to download CINEMAS

How to Install:

  • Installing CINEMAS
    • Installer
    • Potential-files configuration

License:

  • CINEMAS License
  • Third Party Licenses
    • Qwt plotting libraries
    • Qt License(LGPL)
    • Libssh2
    • Pymatgen
    • Robocrystallographer_License
    • Miniconda
    • SpgLib
    • Xpdf
    • Phonopy License
    • Seekpath

CINEMAS Help:

  • User forum
  • Start with CINEMAS
    • How to start with CINEMAS
      • Create/open a new CINEMAS project
      • Load DFT-engine input/output file(s)
      • Import existing calculation(s)
      • Import VASP input files from materials-project to CINEMAS
    • How to create input files?
    • How to setup connections between the local machine and a remote server?
    • How to manage Job status(Queue)
    • How to import input-files/data from Materials-project database
      • Materials-project interface
    • How to visualize Fermi-surface in CINEMAS
      • Examples of Nonmagnetic Al
    • How to use Phonopy automatic module
      • Phonopy from scratch using a structure file
    • How to use Elastic automatic module
      • Calculate Elastic constants from scratch using a structure file
      • Calculate Elastic constants from a bank template
    • How to use Dielectric automatic module
      • Calculate Dielectric constants from scratch using a structure file
      • Calculate Dielectric constants from a bank template
    • How to use Surface automatic module
      • Model a surface slab from scratch using a structure file
    • How to use AMMCR automatic module to calculate charge mobility
      • Calculate charge mobility from scratch using a structure file
    • How to use Featurizer in CINEMAS: an interface to Matminer
      • Featurize from composition
    • How to train models using CINEMAS-GUI
      • Analyse database for model training
      • Train a regression model in CINEMAS
      • Train a classification model in CINEMAS
    • Guide to CINEMAS-bandstructure module
      • Bandstructure from scratch using a structure file
      • Bandstructure from a blank template
    • How to use Kpoints-convergence automatic module
    • How to visualize forces on atoms from a computed structure(Force-View)
    • How to visualize magnetic configuration of atoms from an initial or a computed structure(Mag-View)
  • Video Tutorials
    • Dielectric constants: Automatic Module
    • Elastic constants: Automatic Module
    • Bandstructure: Automatic module
    • Visualize magnetic configurations
    • Visualize forces
    • Query Materials-project database, and import VASP input files in CINEMAS
    • Visualize 3D Fermi-surface in CINEMAS
    • Describe a Structure in CINEMAS, using Robocrystallographer
    • Import external calculations to CINEMAS and post-process
    • Configuring Potential file in newer versions(2020)
    • CINEMAS integrated GUI
    • Setting up potential files
    • Create workflows and input files
    • Connection, transfer files and execute
    • Structure manager: build surface cell

The CINEMAS team:

  • Developers’ group members
  • Advisory board members
  • Credits
CINEMAS
  • »
  • CINEMAS-gallery

CINEMAS Gallery¶

CASCADE snaps¶

jobicon

Description of a workflow-icon.¶

cascade-1

A view of independent and dependent workflows. Color codes are provided for an easy guide to eyes.¶

CINEMAS-view snaps¶

Visualizer¶

cascade-1

CINEMAS-view: Zeolite structure assuming pure SiO2 phase in SZR framework, blue(Si) and red(O).¶

cascade-1

CINEMAS-view: Visualization of hybrid perovskite CH3 NH3 PbI3 , brown(C), pink(H), light grey(N), dark grey(Pb) and magenta(I).¶

Fermi-Surface¶

_images/al-fermi.png

CINEMAS-view: Visualization of Fermi-surface for Al-Bulk(non-magnetic configuration).¶

_images/Cu-fermi-surface.png

CINEMAS-view: Visualization of Fermi-surface for Cu-Bulk(non-magnetic configuration).¶

_images/ti-fermi-surface.png

CINEMAS-view: Visualization of Fermi-surface for Ti-Bulk(non-magnetic configuration).¶

Structure-Manager¶

611

Structure Manager: high-index [611] surface of SrTiO3 , green(Sr), cyan(Ti) and red(O).¶

mirror

Structure Manager: Application of mirror symmetry along XY-plane of [111] surface cell of SrTiO3.¶

surf-1

Structure Manager: Input Miller indices for a desired surface.¶

cascade-1

Structure Manager: Drag the plane for desired termination.¶

cascade-1

Structure Manager: Drag arrows to have desired in-plane vectors.¶

cascade-1

Structure Manager: Surface cell(periodic and normal vectors).¶

cascade-1

Structure Manager: Periodic-bulk like surface cell(with least number of atoms).¶

cascade-1

Structure Manager: Non-periodic slab-like surface cell.¶

cascade-1

Structure Manager: Non-periodic slab-like symmetric surface cell with layers centered.¶

CINEMAS-plot snaps¶

Tables¶

_images/plot4.png

CINEMAS-plot table: Available options for tables.¶

_images/plot2.png

CINEMAS-plot table: color highlighting and available statistical operations.¶

_images/plot5.png

CINEMAS-plot tables: Nested CSV loaded as a table, See column #5.¶

Graphs:¶

piecol

A sample graph from data driven computations.¶

_images/plot1.png

CINEMAS-plot: appearance of table/graph window.¶

_images/plot3.png

CINEMAS-plot: Graph window in full-screen mode.¶

CINEMAS-draw snapshots¶

drawsample1

A sample drawing created and exported from CINEMAS-draw. Structure shown is directly exported from CINEMAS-view.¶

CINEMAS-Py Editor¶

pyed1

An example of Python script executed from CINEMAS-Python editor using Matminer package, to featurize a list of compositions.¶

pyed2

An example of running Phonopy scripts using its Python API from CINEMAS-Python editor. This script shown here is taken from Phonopy-examples.¶

pyed3

An example of Python script execution from CINEMAS editor, querying a dataset available within Matminer.¶


© Copyright 2019-2022, Indo-Korea Science and Technology Center, Bengaluru INDIA | Written by Kapil Gupta

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