calculation of superconducting transition temperature

[topgun]

dear all,

how much time does it take to calculate superconducting transition temperature of a unit cell containing 4 atoms.
how many cores are required for running this system.
what are the average output(how many MB/GB) files produced during this run.

[sponce]

Dear topgun,

This is difficult to say. It will depend on your convergence parameters that you will need (ecut, k-grid etc).

You probably need at least 32 cores for a few days with ~4 Gb/core.

Data produced should be in the range of 1-20 Gb I guess.

Best,
Samuel

[kalpna4152]

The necessary parameter required for finding Superconducting transition temperature is-Tc which we get from the self-consistent band structure obtained by means of the TB-LMTO method. Tc calculation is good for experimental value due to metallic nature of boron sheet TC may be high phonon mediated mechanism can be employed to explain Tc in these compounds.

Thanks& regards,
Kalpna singh
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