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I am trying to do a Chern number calculation using VASP. I have tested my build of the modified VASP+W90 by following the tutorials (Bi, WTe2, and Bi2Se3 all produce the expected result). Here is the …
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Some errors come from the pytests because of apparently unused imports, due to the way pytest works.
I suggest to first fix the problematic tests in #45 and then work on this issue.
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Dear wannier90 developers and users,
The SHC σγαβ is a third-order tensor and represents the spin current along the α direction generated by an electric field along the β direction, where the spin …
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Wannier90 version: 3.0.0
When trying to run Wannier90 with ``write_xyz : true`` enabled in parallel execution, I get a segfault. Compiling with debug flags, the following error is printed:
with …
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Related to #69, #37, #14.
Currently, the logic for selecting input files needs to get the list of files in the `RemoteData`. This opens an SSH transport -- if that fails, the calculation will excep…
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In the Makefile of pyWannier90,
USE_INTEL =no
LIBDIR = ${HOME}/soft/cp2k/tools/toolchain/install/lapack-3.8.0
LIBS = -L$(LIBDIR)/lib -llapack -lblas -Wl,-rpath,$(W90DIR) -L$(W90DIR) -lwannier
(in…
houzf updated
4 years ago
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After configuring with `./configure --with-trio-flavor="netcdf" --with-dft-flavor="wannier90",` there always something wrong when make abinit. It looks like a bug in fortran code. I tried changing the…
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The examples directory is confusing, and possibly filled with obsolete methods. The 'workflows' directory is not even a workflow. The contents of these tests should be checked, merged, and made generi…
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Dear all:
I have three things (I believe) worth addressing in the future.
I believe that all of them are not difficult to implement.
(1) Currently, many functionalities, for instance the plotti…
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``zona`` will take the place of ``radial``, which gives means the wrong projection is used