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