Open mitsuaki1987 opened 1 year ago
(2023-01-06 16:58 by mitsuaki1987 ) Dear Dr. Prarena
Please use ph.x
enclosed in SCTK.
Best regards, Mitsuaki Kawamura
(2023-01-06 19:05 by (del#222008) #93278)) Thank you so much for the reply. Actually I have tried both ways
ph.x
and pw.x
enclosed in SCTK. pw.x
enclosed in QE and ph.x
enclosed in SCTK. And $T_c$ is different in both cases. Which of them is the correct way?
Secondly, I wanted to ask is it possible to find $T_c$ and superconducting gap of 2d material in SCTK.
And lastly, what should be the procedure to plot superconducting gap w.r.t. temperature. So that we can find $T_c$ from it.
According to the tutorial, calculation = "scdft"
, performs SCDFT at a temperature and generate delta.dat. And in my case I am not getting any such file.
(2023-01-06 15:42 by (del#222008) #93264)) Dear Developers,
I was trying to reproduce
SCTK/examples/Al/
. At first I have used QE v7.0 forpw.x
andph.x
part (scf.in, ph.in, epmat.in, nscf.in, twin.in), and got the following error inkel.out
And then I ran calculation in QE v6.4.1, and in this case
kel.out
finished successfully. But on changing calculation fromkel
toscdft_tc
. I got the following error in tc.outWould you please let me know the reason behind these errors. Thank you. Regards Prarena.