Dear users
I have installed Z2Pack and trying to run example of Bi_vasp.How can i link vasp with z2pack? Although vasp cannot support higher version of wannier while z2pack is compitable with higer version .please suggest solution
Regards.
+----------------------------------------------------------------------+
|=================== |
|SURFACE CALCULATION |
|=================== |
|starting at 2017-11-14 13:38:16,605 |
|running Z2Pack version 2.1.0 |
| |
|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 0x2b17277528c8> |
|system: <z2pack.fp._first_prin<...>ject at 0x2b171e1d85c0>|
+----------------------------------------------------------------------+
INFO: Adding lines required by 'num_lines'.
INFO: Adding line at t = 0.0
INFO: Calculating line for N = 8
Traceback (most recent call last):
File "/public/home/wudx/anaconda3/lib/python3.6/site-packages/z2pack-2.1.0-py3.6.egg/z2pack/fp/_read_mmn.py", line 16, in get_m
FileNotFoundError: [Errno 2] No such file or directory: '/public/home/abdul/Z2PACK/Z2Pack-master-2.1.x/examples/fp/Bi_vasp/build/wannier90.mmn'
The above exception was the direct cause of the following exception:
Traceback (most recent call last):
File "run.py", line 34, in <module>
load=True
File "/public/home/wudx/anaconda3/lib/python3.6/site-packages/z2pack-2.1.0-py3.6.egg/z2pack/surface/_run.py", line 149, in run_surface
File "/public/home/wudx/anaconda3/lib/python3.6/contextlib.py", line 52, in inner
return func(*args, **kwds)
File "/public/home/wudx/anaconda3/lib/python3.6/site-packages/z2pack-2.1.0-py3.6.egg/z2pack/surface/_run.py", line 277, in _run_surface_impl
File "/public/home/wudx/anaconda3/lib/python3.6/site-packages/z2pack-2.1.0-py3.6.egg/z2pack/surface/_run.py", line 221, in add_line
File "/public/home/wudx/anaconda3/lib/python3.6/site-packages/z2pack-2.1.0-py3.6.egg/z2pack/surface/_run.py", line 194, in get_line
File "/public/home/wudx/anaconda3/lib/python3.6/site-packages/z2pack-2.1.0-py3.6.egg/z2pack/line/_run.py", line 202, in _run_line_impl
File "/public/home/wudx/anaconda3/lib/python3.6/site-packages/z2pack-2.1.0-py3.6.egg/z2pack/fp/_first_principles.py", line 138, in get_mmn
File "/public/home/wudx/anaconda3/lib/python3.6/site-packages/z2pack-2.1.0-py3.6.egg/z2pack/fp/_read_mmn.py", line 56, in get_m
FileNotFoundError: [Errno 2] No such file or directory: '/public/home/abdul/Z2PACK/Z2Pack-master-2.1.x/examples/fp/Bi_vasp/build/wannier90.mmn'. Check that the path of the .mmn file is correct (mmn_path input variable). If that is the case, an error occured during the call to the first-principles code and Wannier90. Check the corresponding log/error files.
[xjwu@mse01 Bi_vasp]$ ls
input plots results run.py
[xjwu@mse01 Bi_vasp]$ python run.py
Traceback (most recent call last):
File "run.py", line 10, in <module>
import z2pack
ImportError: No module named z2pack
[xjwu@mse01 fp]$ ls
test_abinit.py test_espresso_new.py test_espresso.py test_fp_kpoint.py test_vasp.py
[xjwu@mse01 fp]$ python test_vasp.py
Traceback (most recent call last):
File "test_vasp.py", line 8, in <module>
import pytest
ImportError: No module named pytest
--
Best Regards
Abdul Jalil
PhD Student
Department of Material Science & Engineering
University of Science and Technology