interface to W90 always failed with SOC ?

External optional components of Abinit (BigDFT, Wannier90, ...) and codes using / providing data from / to Abinit (AtomPAW, EXC, DP, SAX, WanT, Yambo, ...).

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pipidog
Posts: 19
Joined: Wed Apr 15, 2015 1:05 am

interface to W90 always failed with SOC ?

Post by pipidog » Sun Jun 05, 2016 12:42 am

Hello everyone,

I would like to wannierize a system with SOC in the latest 8.0.7 version.
However, there is always an error message:

--- !ERROR
src_file: mlwfovlp_qp.F90
src_line: 166
mpi_rank: 0
message: |
nspinor==2 not implemented
...

Similar problem appears in 7.10.5. Is there anyway to solve this problem?

Thanks!
--
Shu-Ting Pi
University of California, Irvine

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gmatteo
Posts: 291
Joined: Sun Aug 16, 2009 5:40 pm

Re: interface to W90 always failed with SOC ?

Post by gmatteo » Sun Jun 05, 2016 12:48 pm

There's been some work to interface Abinit8.0.7 with Wannier2 but non-collinear magnetism
(nspinor = 2, required for SOC calculations) is not supported yet in this part of the code.

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