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<P> Dear all<BR> <BR> I would like to perform a scf calculation with small kpoints,and then do nonscf calculation </P>
<P>with a large kpoints. So my questions is :</P>
<P>1 what to do when I want a nonscf calculation with a larger kpoints.</P>
<P>2 when I only do scf calculation with too large kpoins.</P>
<P>The warning is as followed:</P>
<P>================================================== </P>
<P> NUMBER OF K-POINTS IN WHOLE CELL: (0 allows to specify 3 divisions of G)<BR> length of reciprocal lattic vectors: 1.422 1.422 1.422 66.943 66.943 66.943<BR> nmax too large in ord1.f, set indexm at least 1724976<BR>nmax, redimension ord1.f<BR>1.692u 0.504s 0:02.19 100.0% 0+0k 0+0io 0pf+0w<BR>===============================================</P>
<P>So I recomplier the order1.f , however,I still failed to use as large as 82 82 82 kpoints.</P>
<P>Actually I'm confused by the 'nmax'. Can you explain it,please? <BR><BR> <BR>Thanks you</P>
<P>H.H.GUO<SPAN><BR>Magnetism and Magnetic Materials Division<BR>Shenyang Materials Science National Laboratory<BR>Institute of Metal Research <BR>Chinese Academy of Sciences<BR>72 Wenhua Road,Shenyang 110016, China<BR><BR><BR>+86-15140243901 (mobile)<BR>work: hhguo@imr.ac.cn</SPAN></P></BLOCKQUOTE><br><br>