Index of /data/material_modeling/Bi2Te3_mp-34202_primitive.cif-QuantumEspresso-bertran-20250528-160633

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[   ]Bi2Te3.pwi2025-05-28 16:08 72K 
[   ]Bi2Te3.pwo2025-05-28 16:19 1.0M 
[   ]Bi2Te3_mp-34202_primitive.cif2025-05-28 16:06 920  
[TXT]README.html2025-05-28 16:19 13K 
[   ]config.toml2025-05-28 16:06 622  
[DIR]data/2025-05-28 16:19 -  
[TXT]material-modeling-log.txt2025-05-28 16:19 9.4K 
[   ]properties.h52025-05-28 16:19 2.3M 
[DIR]pwscf.save/2025-05-28 16:19 -  
[   ]pwscf.xml2025-05-28 16:18 2.4M 
[   ]settings.toml2025-05-28 16:06 1.6K 

Bi2Te3 computation [ESPRESSO]

Bi2Te3 computation [ESPRESSO]

This page presents an overview of the calculation performed for the material Bi2Te3.

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 16:06:36 2025

Generated:

Ground state on Wed May 28 16:06:44 2025

Generated:

Properties:


Electronic density of states on Wed May 28 16:06:44 2025

Generated:

Electronic band structure along k-path on Wed May 28 16:08:48 2025

Generated:

Electronic band structure in full BZ on Wed May 28 16:19:03 2025

Generated:

End of calculation on Wed May 28 16:19:03 2025

Generated:

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


Duration: 747.671888589859
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