[Pw_forum] How to generatie all kpoints for the case ibrav=0

[Vo, Trinh (388C)]

Dear Paulatto,

Thank you very much,

Best,

Trinh

On 2/15/12 2:23 AM, "Lorenzo Paulatto" <Lorenzo.Paulatto at impmc.upmc.fr>
wrote:

>On Wed, 15 Feb 2012 08:37:12 +0100, Vo, Trinh (388C)
><Trinh.Vo at jpl.nasa.gov> wrote:
>> I run a scf calculation for a system, which is base center
>>orthorhombic,  
>> (space group #36).   In the output file,  I obtained a list of kpoits
>>in  
>> irreducible BZ.  For ibrav > 0, I can use  "kpoint.x" to generate the
>> whole kpoint list in the BZ.  For the case ibrav=0, is there a way that
>> 
>> I can obtain something similar?
>
>
>You can set-up a "fake" calculation for the system with nosym=.true. and
>noinv=.true. and run it for just a few seconds until the list of k-points
> 
>is printed.  Then stop the calculation, copy and paste. You may need to
>set verbosity='high' if the number of k-points is very large.
>
>bests
>
>
>-- 
>Lorenzo Paulatto IdR @ IMPMC/CNRS & Université Paris 6
>phone: +33 (0)1 44275 084 / skype: paulatz
>www:   http://www-int.impmc.upmc.fr/~paulatto/
>mail:  23-24/4é16 Boîte courrier 115, 4 place Jussieu 75252 Paris Cédex 05
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