Closed mitsuaki1987 closed 1 year ago
(2023-05-15 01:34 by mitsuaki1987) Dear probleminelphbnd
Sorry for my late reply.
elph_nbnd_min
and elph_nbnd_max
can be seen by a program fermi_velocity.x
.
From the error Electron-phonon only for metals
, you may not use "occupation ="tetrahedra"" in "pw.x" execution just before the ph.x
calculation.
Best regards, Mitsuaki Kawamura(ITC, U-Tokyo)
(2023-05-07 23:29 by probleminelphbnd ) I am a new user of the SCDFT toolkit . I downloaded and successfully executed the code with the input examples. However, I encountered a problem when I tried to study my six atoms system. I am not certain how to define the following variables in
epmat.in
,My system is a metal and has 66 electrons, so I set
However, I got an error from
ph.x
sayingI tried to read the code but still do not understand the cause of this error. Advice is most appreciated.