[Pw_forum] The unit of potential (??)

[毛飞]

>Hi Cristian,Thank you for you kind reply, and it is very useful for me. As you have experience with extracting the potential, how did you get it, did you get it by average.x. I do not know how to use average.x to get the average electrostatic potential. Actually, I write a piece of code to obtain it of the simulation cell.
 
You comments are appreciated.
Regards.
 Evan
USC, China

> -----原始邮件-----
> 发件人: Cristian Degli Esposti Boschi <degliesposti at bo.imm.cnr.it>
> 发送时间: 2017年2月27日 星期一
> 收件人: pw_forum at pwscf.org
> 抄送: 
> 主题: Re: [Pw_forum] The unit of potential (??)
> 
> Hi Evan,
> 
> regarding your question below, various times I had to extract the 
> potential with the same parameters for pp.x
> 
> AFAIK the units used in that case are ATOMIC RYDBERG UNITS, that means 
> Rydbergs (Ry) for energy, and
> 
> 
> 1 Ry = 13.6057 eV
> 
> 
> Cheers
> 
> 
>  >Hello, everyone
> 
>  >I output the potential by pp.x (iflag = 3, output_format = 5), I like 
>  >to know what is the unit of the potential, and how to convert to the 
>  >unit with eV.
>  >Thank you in advance.
> 
>  >Evan
>  >USC, China
> 
> -- 
> Cristian Degli Esposti Boschi
> CNR-IMM, Sezione di Bologna,
> via Gobetti, 101, 40129, Bologna, Italia
> tel. ++39 051 6399152, fax ++39 051 6399216
> email: degliesposti -AT- bo.imm.cnr.it
> web:   www.bo.imm.cnr.it/site/staff/personal_pages/degliesposti/
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