[Wien] wien2wannier for non-spinpolarized SOC cases

[Elias Assmann]

On 10/24/2014 05:56 PM, Zhu, Jianxin wrote:
> Hi Elias,
>
> In the earlier versions, I did
>
> $x w2w -so
> $cp CASE.eig CASE.eigup
> $cp CASE.eig CASE.eigdn
>
> Will it work still?

For w2w, -so only makes sense together with -up or -dn.

>
> Jianxin
>
>
>
> On 10/24/14 7:00 AM, "Elias Assmann" <elias.assmann at gmail.com> wrote:
>
>> Dear wien2wannier users,
>>
>> There is a minor problem in the Œwannier90¹ script for cases with
>> spin-orbit coupling but without spin polarization.  It looks for Œeigup¹
>> and Œeigdn¹ files which do not exist.  The easiest solution is simply to
>> copy the Œeig¹ file:
>>
>> $ x w2w -so -up && x w2w -so -dn
>> $ cp CASE.eig CASE.eigup
>> $ cp CASE.eig CASE.eigdn
>> $ x wannier90 -so
>>
>> --
>> Elias Assmann (TU Wien)
>>
>> Wien2Wannier: maximally localized Wannier functions
>>                from linearized augmented plane waves
>>
>> <http://www.ifp.tuwien.ac.at/forschung/arbeitsgruppen/cms/software-downloa
>> d/wien2wannier/>
>>
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