Cu2 computation [ESPRESSO]

This page presents an overview of the calculation performed for the material Cu2.

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 Mon May 26 16:55:01 2025

Generated:

Ground state on Mon May 26 16:55:04 2025

Generated:

Properties:


Electronic density of states on Mon May 26 16:55:04 2025

Generated:

Electronic band structure along k-path on Mon May 26 16:55:10 2025

Generated:

Electronic band structure in full BZ on Mon May 26 16:55:27 2025

ERROR: cannot reshape array of size 49665 into shape (11,11,11,15)

Vibrational density of states (harmonic) on Mon May 26 16:56:09 2025

Generated:

Vibrational band structure along k-path (harmonic) on Mon May 26 16:56:12 2025

Generated:

Vibrational band structure in full BZ (harmonic) on Mon May 26 16:56:16 2025

Generated:

End of calculation on Mon May 26 16:56:16 2025

Generated:

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


Duration: 75.0451488494873
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