[Wannier] Question on skip_B1_tests variable

[Dominik Gresch]

Dear Carissa,

Exactly, you don't have to set the shell_list variable anymore. Setting 
the nnkpts block is already implemented, just use the "wannier90_full" 
k-points function instead of "wannier90". You can have a look at this 
example 
<https://github.com/Z2PackDev/Z2Pack/blob/master/2.1.x/examples/fp/Bi_qe_6/run.py> 
with Quantum Espresso that uses this interface.

Best regards,

Dominik


On 03.08.2017 14:47, Carissa Wu wrote:
> Dear Dominik,
>
> Thank you so much, that was the problem. I was actually using 
> Wannier90 version 2.0; I will try to reinstall version 2.1.
>
> Regarding nnkpts, does this mean I do not have to set the variable 
> shell_list to 1 in my wannier90.win file anymore? And simply implement 
> the nnkpts block in my python code instead?
>
> Thanks,
>
> Carissa
>
> On Thu, Aug 3, 2017 at 3:41 AM, Dominik Gresch <greschd at phys.ethz.ch 
> <mailto:greschd at phys.ethz.ch>> wrote:
>
>     Dear Carissa,
>
>     In Wannier90 2.1, the skip_b1_tests input variable is indeed
>     implemented. Can you double-check in the Wannier output file that
>     this is the version you are running? ABINIT can be sneaky about
>     downloading / installing its "fallback" Wannier90 version during
>     the install.
>
>     It's also worth noting that with Wannier90 2.1, you should no
>     longer need the 'skip_b1_tests' input variable. Instead, you can
>     let Z2Pack write the 'nnkpts' block, which explicitly specifies
>     the overlaps to be computed. There relevant documentation can be
>     found here
>     <http://z2pack.ethz.ch/doc/2.1/tutorial/system.html#wannier90-2-1-and-newer>.
>
>     Best regards,
>
>     Dominik
>
>
>     On 03.08.2017 02:21, Carissa Wu wrote:
>>     Hello,
>>
>>     I am a new user with Wannier90. I am currently trying to utilize
>>     Wannier90 with Z2pack to calculate the Z2 invariant for PbTaSe2.
>>     I tried to set the variable skip_B1_tests to true in my
>>     wannier90.win file (because the Z2 pack website said that
>>     Wannier90 would be compatible with Z2pack if
>>     skip_B1_tests=.TRUE.), but I got an error message that said
>>     "unrecognizable input variable." Is skip_B1_tests implemented in
>>     Wannier90? I am using version 2.1.0.
>>
>>     Thank you very much!
>>
>>     Carissa
>>
>>
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>
>

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