Index of /data/material_modeling/TaS2_COD1537360.cif-QuantumEspresso-farhie-20250527-151744

[ICO]NameLast modifiedSizeDescription

[PARENTDIR]Parent Directory  -  
[TXT]README.html2025-05-27 15:19 12K 
[   ]S2Ta.pwi2025-05-27 15:17 72K 
[   ]S2Ta.pwo2025-05-27 15:18 3.3M 
[   ]TaS2_COD1537360.cif2025-05-27 15:17 1.9K 
[   ]config.toml2025-05-27 15:17 577  
[DIR]data/2025-05-27 15:19 -  
[TXT]material-modeling-log.txt2025-05-27 15:19 2.3K 
[   ]properties.h52025-05-27 15:19 3.8M 
[DIR]pwscf.save/2025-05-27 15:18 -  
[   ]pwscf.xml2025-05-27 15:18 6.6M 
[   ]settings.toml2025-05-27 15:17 1.4K 

S2Ta computation [ESPRESSO]

S2Ta computation [ESPRESSO]

This page presents an overview of the calculation performed for the material S2Ta.

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 Tue May 27 15:17:47 2025

Generated:

Ground state on Tue May 27 15:17:49 2025

Generated:

Properties:


Electronic density of states on Tue May 27 15:17:49 2025

Generated:

Electronic band structure along k-path on Tue May 27 15:17:57 2025

Generated:

Electronic band structure in full BZ on Tue May 27 15:19:21 2025

Generated:

End of calculation on Tue May 27 15:19:21 2025

Generated:

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


Duration: 94.29872536659241
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