[Pw_forum] Help me with the Band Structure Calculation

lan haiping lanhaiping at gmail.com
Mon Feb 23 08:29:27 CET 2009


Hi,  the weights of kpoints can be set to any value as decribed in the Doc.

On Mon, Feb 23, 2009 at 3:21 PM, yccheng.nju <yccheng.nju at gmail.com> wrote:

>  You should set all number to "1" in the fourth column in kpoints. You
> have 311 K points, why you just give 5 in the input file. The error message
> have told you what your problem is !
>
>
> 2009-02-23
> ------------------------------
>  yccheng.nju
> ------------------------------
> *发件人:* 潘登
> *发送时间:* 2009-02-23  15:14:13
> *收件人:* PWSCF Forum
> *抄送:*
> *主题:* Re: [Pw_forum] Help me with the Band Structure Calculation
>   Dear yccheng.nju and nazari,
>   I have tried to change to what you had suggested. But the error
> happens still, and the message unchange:
>       from card_kpoints : error #         1
>      error or end of file while reading tpiba k points
>  And for nazari,  I did have 311 k points but I just gave five of them
> and ommitted the others.
>
> Thanks for two of you, but I do not know where the problem is. Please help me.
>  Have a nice day
>  Pan Deng
> Nanjing University
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>


-- 
Hai-Ping Lan
Department of Electronics ,
Peking University , Bejing, 100871
lanhaiping at gmail.com, hplan at pku.edu.cn
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