[Pw_forum] 答复: [Pw_forum] Is there

#TAO JUNGUANG# TAOJ0003 at ntu.edu.sg
Thu Nov 3 08:04:02 CET 2005


Based on the vectors e1 and e2, is that plane should be 110?


-----邮件原件-----
发件人: pw_forum-admin at pwscf.org [mailto:pw_forum-admin at pwscf.org] 代表 hai wang
发送时间: 2005年11月1日 17:34
收件人: pw_forum at pwscf.org
主题: Re: [Pw_forum] Is there

this is a plan of (111) defined by e1 and e2 vectors

2005/11/1, #TAO JUNGUANG# <TAOJ0003 at ntu.edu.sg>:
> In the example 05,
>  cat > si.chdens.in << EOF
>  &input
>    nfile = 1
>    filepp(1) = 'sicharge'
>    weight(1) = 1.0
>    iflag = 2
>    plot_out = 1
>    output_format = 2
>    fileout = 'si.rho.dat'
>    e1(1) =1.0, e1(2)=1.0, e1(3) = 0.0,
>    e2(1) =0.0, e2(2)=0.0, e2(3) = 1.0,
>    nx=56, ny=40
>
>
> is there anyone who can tell which direction it calculated?
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