[QE-users] Generate Pseudopotential

[Stefano Baroni]

Of course, I was meaning Z=6 for Carbon. 12 is indeed the atomic mass of the abundant isotope of carbon. Sorry for the confusion. Hope what I meant is clear nevertheless … SB

> On 12 Sep 2019, at 08:07, Stefano Baroni <baroni at sissa.it> wrote:
> 
> The atomic number of Carbon (Z) is alway 12 (otherwise it would be Nitrogen). If it is the atomic mass (A) that you are referring to, then it does not affect the pseudopotental, nor any electronic properties, for that matter, any way. SB
> 
> ___
> Stefano Baroni, Trieste -- http://stefano.baroni.me
> 
>> On 12 Sep 2019, at 04:24, Muhammad Yusrul Hanna <muhammad.yusrul.hanna at lipi.go.id> wrote:
>> 
>> Dear expert,
>> 
>> I am trying to calculate graphene with the atomic number of carbon is 13. Are there any suggestion to generate pseudopotential?
>> 
>> Best Regard,
>> 
>> M. Y. Hanna
>> Indonesian Institute of Science (LIPI)
>> Indonesia
>> 
>> 
>>>>>>>>>> Cek S&K terkait pesan ini (check T&C regarding this message) : http://www2.lipi.go.id/sdk/
>> LIPI - http://www.lipi.go.id
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— 
Stefano Baroni - Trieste —  http://stefano.baroni.me <http://stefano.baroni.me/> 




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