<table cellspacing="0" cellpadding="0" border="0" ><tr><td valign="top" style="font: inherit;"><DIV>Sr </DIV>
<DIV> I think the problem that is from your X-windows</DIV>
<DIV> Best Wishes </DIV>
<DIV> your's friend JiaFaSun<BR><BR>--- <B>09年5月19日，周二, Zhenhua Zeng <I><zhzeng@dicp.ac.cn></I></B> 写道：<BR></DIV>
<BLOCKQUOTE style="PADDING-LEFT: 5px; MARGIN-LEFT: 5px; BORDER-LEFT: rgb(16,16,255) 2px solid"><BR>发件人: Zhenhua Zeng <zhzeng@dicp.ac.cn><BR>主题: [xcrysden] Xcrysden Bug for 2D Fermi Surface Plot<BR>收件人: "xcrysden" <xcrysden@democritos.it><BR>日期: 2009年5月19日,周二,下午11:12<BR><BR>
<DIV class=plainMail>Dear all,<BR><BR>I found a bug for Fermi Surface plot in 2D brillouin zone. I will explait it below.<BR><BR>For 3D brillouin zone with k-point grid sample (Nx*Ny*Nz) and N>2, there no problem at all.<BR>However for a 2D surface brillouin zone with k-point grid such as (8x8x2) for (8x8x1) in which<BR>Nz <3, then xcrysten will give the following error:<BR>---------------------------------------------------<BR>/home/zengzh/Source/XCrySDen-1.5.17-src-all/xcrysden: line 211: 6096 Segmentation fault <BR>${XCRYSDEN_TOPDIR}/bin/xcrys ${XCRYSDEN_TOPDIR}/Tcl/xcInit.tcl $USE -- $XCRYSDEN_TOPDIR $XCRYSDEN_SCRATCH $ARGS >/dev/null<BR>---------------------------------------------------<BR><BR>I have tested several examples, and found the problem just come from the grid given in the bxsf file (or in calculations).<BR>For example in example RhBulkFcc.bxsf, the k-point grid is 32*32*32, however if I
change the grid to 128*128*2,<BR>xcrysden will crash and give the error as above.<BR><BR>I use XCrySDen-1.5.17 now. I want to know whether this bug will be fixed in the following version such as V1.6.<BR><BR>PS: Attachment is another example which crash xcryden and show the bug. <BR> <BR>Best Wishes<BR>Zhenhua Zeng</DIV><BR>-----下面为附件内容-----<BR><BR>
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