[Wannier] A question based on No.23 example in wannier90 tutorial, GW calculation

[Antimo Marrazzo]

Dear Kan,

thank you, happy to know it worked - I put everyone in CCs just in case 
someone has the same issue, so people know how to solve it.
Best,
     Antimo

On 1/17/20 4:44 AM, zhangkan3 at mail.sysu.edu.cn wrote:
> Dear Mr. Marrazzo,
>
> I really appreciate your help from your instant reply. I have gotten the problem solved by following your instruction and derived good output results. Thank you very much.
> Best
> Kan
>
>> -----原始邮件-----
>> 发件人: "Antimo Marrazzo" <antimo.marrazzo at epfl.ch>
>> 发送时间: 2020-01-16 17:30:54 (星期四)
>> 收件人: "张侃" <zhangkan3 at mail.sysu.edu.cn>, wannier at lists.quantum-espresso.org
>> 抄送:
>> 主题: Re: [Wannier] A question based on No.23 example in wannier90 tutorial, GW calculation
>>
>>
>>
>> On 1/16/20 9:12 AM, 张侃 wrote:
>>> Previously, I run the silicon example, and my system with 4x4x10
>>> k-points in all scf and nscf steps and including QP corrections, in
>>> which no errors occurred and results can be output successfully. In
>>> the current set, I only change k-pints in scf file to 10x10x28, 8x8x22
>>> in gw.nscf file, and keep 4x4x10 in nscf file. QP corrections were
>>> calculated on 4x4x10 grids. Here is my system in QE input form.
>>>
>> Dear Zhang,
>>
>> the GW-QP grid needs to be commensurate with the NSCF grid, i.e. every
>> point in the GW-QP grid must be present in the set of k-points used for
>> the NSCF. You just need to factorize the grid n1xn2xn3 to know which
>> subgrids are allowed.
>> If you use 22 k-points along k_z in the NSCF, then you can only use
>> 22,11 or 2 (22=11*2) k-points in the GW calculations.
>> Could you try if this fixes the error you get?
>> Thanks.
>>
>> Best,
>> Antimo
>>
>> -- 
>> Antimo Marrazzo
>> EPFL STI IMX THEOS
>> ME-D2 1326 (Bâtiment ME)
>> Station 9
>> CH-1015 Lausanne (Switzerland)
>
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-- 
Antimo Marrazzo
EPFL STI IMX THEOS
ME-D2 1326 (Bâtiment ME)
Station 9
CH-1015 Lausanne (Switzerland)

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