Closed mitsuaki1987 closed 1 year ago
(2022-12-16 23:42 by mitsuaki1987 ) Thank you for reporting this issue.
In the $T_c$ calculation, routines to compute the interactions from irreducible BZ to whole BZ did not work correctly when system has no inversion symmetry.
I am not sure when this Bug is inserted in the code. I pushed the fixed code into master branch of this repository.
Best regards,
Mitsuaki Kawamura
(2022-12-15 21:01 by gabrielk #93003)) Dear Developers,
I have tried analyzing a superconductor without inversion symmetry. Calculation of the screened Coulomb interaction finished successfully, but the next step with
scdft_tc
failed. There wereNaN
values for the renormalization factor and in each iteration of the gap equation. In a paper in which the code was used, T. Nomoto et al., PHYSICAL REVIEW B 101, 014505 (2020), I noticed in the theory section that the time and space inversion are assumed. Is SCTK unable to deal with materials lacking the inversion symmetry? For the record I used the 6.4.1 version.Best regards, Gabriel Kuderowicz