User forum

Users can find CINEMAS users’ discussion forum here. Discussion forum can be used to post your questions, reporting bugs/crash scenarios(we hope you don’t find any!) or to download CINEMAS latest version.

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 submit a workflow over 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)

• How to use a DOS module?

• How to use Robocrystallographer in CINEMAS

Video Tutorials

A list of video tutorials is available to understand or use CINEMAS, and its several components.

• 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