Respected Sir,
This is Vineet Kumar Sharma, a research scholar from IIT Hyderabad. I am a
beginner to this code. I followed the steps to modify the run.py program
given for Bi.
While executing this program, I am getting this error.
+----------------------------------------------------------------------+
|=================== |
|SURFACE CALCULATION |
|=================== |
|starting at 2021-06-22 12:46:31,818 |
|running Z2Pack version 2.2.0 |
| |
|gap_tol: 0.3 |
|init_result: None |
|iterator: range(8, 27, 2) |
|load: True |
|load_quiet: True |
|min_neighbour_dist: 0.01 |
|move_tol: 0.3 |
|num_lines: 11 |
|pos_tol: 0.01 |
|save_file: ./results/res_0.p |
|serializer: auto |
|surface: <function <lambda> at 0x153c71281268> |
|system: <z2pack.fp._first_prin<...>ject at 0x153c7b232b00>|
+----------------------------------------------------------------------+
INFO: Adding lines required by 'num_lines'.
INFO: Adding line at t = 0.0
INFO: Calculating line for N = 8
/bin/sh: 1: Syntax error: Bad fd number
Traceback (most recent call last):
File "/home/kanchana/.local/lib/python3.6/site-packages/z2pack/fp/_read_mmn.py",
line 16, in get_m
with open(mmn_file, "r") as f:
FileNotFoundError: [Errno 2] No such file or directory:
'/home/kanchana/Soft/Z2Pack-dev-current/examples/fp/vasp/
Bi/build/wannier90.mmn'
The above exception was the direct cause of the following exception:
Traceback (most recent call last):
File "run.py", line 37, in <module>
load=True
File "/home/kanchana/.local/lib/python3.6/site-packages/decorator.py",
line 232, in fun
return caller(func, *(extras + args), **kw)
File "/home/kanchana/.local/lib/python3.6/site-packages/z2pack/_run_utils.py",
line 21, in inner
result = fct(**kwargs)
File "/home/kanchana/.local/lib/python3.6/site-packages/z2pack/surface/_run.py",
line 131, in run_surface
serializer=serializer
File "/usr/lib/python3.6/contextlib.py", line 52, in inner
return func(*args, **kwds)
File "/home/kanchana/.local/lib/python3.6/site-packages/z2pack/surface/_run.py",
line 269, in _run_surface_impl
result = add_line(t)
File "/home/kanchana/.local/lib/python3.6/site-packages/z2pack/surface/_run.py",
line 207, in add_line
data.add_line(t, get_line(t))
File "/home/kanchana/.local/lib/python3.6/site-packages/z2pack/surface/_run.py",
line 171, in get_line
init_result=init_line_result
File "/home/kanchana/.local/lib/python3.6/site-packages/z2pack/line/_run.py",
line 193, in _run_line_impl
for k in np.linspace(0., 1., run_options['num_steps'])
File "/home/kanchana/.local/lib/python3.6/site-packages/
z2pack/fp/_first_principles.py", line 145, in get_mmn
overlap_matrices = mmn.get_m(self._mmn_path)
File "/home/kanchana/.local/lib/python3.6/site-packages/z2pack/fp/_read_mmn.py",
line 58, in get_m
raise type(err)((msg)) from err
FileNotFoundError: [Errno 2] No such file or directory:
'/home/kanchana/Soft/Z2Pack-dev-current/examples/fp/vasp/Bi/build/wannier90.mmn'.
Check that the path of the .mmn file is correct (mmn_path input variable).
If that is the case, an error occurred during the call to the
first-principles code and Wannier90. Check the corresponding log/error
files.
Please help me out to fix this error.
Thanks & Regards,
Vineet Kumar Sharma
Research Scholar
IIT Hyderabad
M No. - 9133708132
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