Index of /data/material_modeling/BaMgBi2.cif-QuantumEspresso-bertran-20250528-161646

[ICO]NameLast modifiedSizeDescription

[PARENTDIR]Parent Directory  -  
[   ]BaBi2Mg2.pwi2025-05-28 16:18 72K 
[   ]BaBi2Mg2.pwo2025-05-28 16:28 1.6M 
[   ]BaMgBi2.cif2025-05-28 16:16 1.1K 
[TXT]README.html2025-05-28 16:29 13K 
[   ]config.toml2025-05-28 16:16 550  
[DIR]data/2025-05-28 16:29 -  
[TXT]material-modeling-log.txt2025-05-28 16:29 2.3K 
[   ]properties.h52025-05-28 16:29 2.6M 
[DIR]pwscf.save/2025-05-28 16:28 -  
[   ]pwscf.xml2025-05-28 16:28 3.5M 
[   ]settings.toml2025-05-28 16:16 1.6K 

BaBi2Mg2 computation [ESPRESSO]

BaBi2Mg2 computation [ESPRESSO]

This page presents an overview of the calculation performed for the material BaBi2Mg2.

NOTE: This page is refreshed every 3 min as results are produced. Reload manually (Ctrl-R) to force update.

The following computations are requested:

The calculator being used is: ESPRESSO which detailed configuration follows:

The setting used are:


Lattice cell on Wed May 28 16:16:50 2025

Generated:

Ground state on Wed May 28 16:16:55 2025

Generated:

Properties:


Electronic density of states on Wed May 28 16:16:55 2025

Generated:

Electronic band structure along k-path on Wed May 28 16:18:44 2025

Generated:

Electronic band structure in full BZ on Wed May 28 16:29:07 2025

Generated:

End of calculation on Wed May 28 16:29:07 2025

Generated:

The computation results are available as an HDF5 file. View it with silx view properties.h5


Duration: 737.7817590236664
We recommend to use silx to view HDF5 and NPY files, and paraview for NRRD files.

(c) Synchrotron SOLEIL GRADES/EXPSOLEIL - Project code at Gitlab