Hi,
I ran a DFPT calculation and used “amset phonon-frequency” to extract the optical phonon frequency. However, it has the error below"Traceback (most recent call last):
File “/home1/06461/tg857602/.local/bin/amset”, line 8, in
sys.exit(cli())
File “/home1/06461/tg857602/.local/lib/python3.7/site-packages/click/core.py”, line 1128, in call
return self.main(*args, **kwargs)
File “/home1/06461/tg857602/.local/lib/python3.7/site-packages/click/core.py”, line 1053, in main
rv = self.invoke(ctx)
File “/home1/06461/tg857602/.local/lib/python3.7/site-packages/click/core.py”, line 1659, in invoke
return _process_result(sub_ctx.command.invoke(sub_ctx))
File “/home1/06461/tg857602/.local/lib/python3.7/site-packages/click/core.py”, line 1395, in invoke
return ctx.invoke(self.callback, **ctx.params)
File “/home1/06461/tg857602/.local/lib/python3.7/site-packages/click/core.py”, line 754, in invoke
return __callback(*args, **kwargs)
File “/home1/06461/tg857602/.local/lib/python3.7/site-packages/amset/tools/phonon_frequency.py”, line 20, in phonon_frequency
vasprun = get_file(vasprun, Vasprun)
File “/home1/06461/tg857602/.local/lib/python3.7/site-packages/amset/tools/phonon_frequency.py”, line 117, in get_file
return class_type(filename)
File “/home1/06461/tg857602/.local/lib/python3.7/site-packages/pymatgen/io/vasp/outputs.py”, line 380, in init
if self.incar.get(“ALGO”, “”) not in [“CHI”, “BSE”] and (not self.converged):
File “/home1/06461/tg857602/.local/lib/python3.7/site-packages/pymatgen/io/vasp/outputs.py”, line 612, in converged
return self.converged_electronic and self.converged_ionic
File “/home1/06461/tg857602/.local/lib/python3.7/site-packages/pymatgen/io/vasp/outputs.py”, line 590, in converged_electronic
while set(final_esteps[i].keys()) == to_check:
IndexError: list index out of range
"
Does anyone have any idea what could be the reason having this error?