Page 1 of 1
calculation of superconducting transition temperature
Posted: Fri Aug 04, 2017 9:21 am
by 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.
Re: calculation of superconducting transition temperature
Posted: Mon Aug 07, 2017 10:27 am
by 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
Re: calculation of superconducting transition temperature
Posted: Thu Nov 30, 2017 6:06 am
by 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
Seo Company in Lucknow |
Seo Company Lucknow