[xcrysden] 回复: Xcrysden Bug for 2D Fermi Surface Plot
孙家法
jiafasun at yahoo.com.cn
Wed May 20 05:09:38 CEST 2009
Sr
I think the problem that is from your X-windows
Best Wishes
your's friend JiaFaSun
--- 09年5月19日,周二, Zhenhua Zeng <zhzeng at dicp.ac.cn> 写道:
发件人: Zhenhua Zeng <zhzeng at dicp.ac.cn>
主题: [xcrysden] Xcrysden Bug for 2D Fermi Surface Plot
收件人: "xcrysden" <xcrysden at democritos.it>
日期: 2009年5月19日,周二,下午11:12
Dear all,
I found a bug for Fermi Surface plot in 2D brillouin zone. I will explait it below.
For 3D brillouin zone with k-point grid sample (Nx*Ny*Nz) and N>2, there no problem at all.
However for a 2D surface brillouin zone with k-point grid such as (8x8x2) for (8x8x1) in which
Nz <3, then xcrysten will give the following error:
---------------------------------------------------
/home/zengzh/Source/XCrySDen-1.5.17-src-all/xcrysden: line 211: 6096 Segmentation fault
${XCRYSDEN_TOPDIR}/bin/xcrys ${XCRYSDEN_TOPDIR}/Tcl/xcInit.tcl $USE -- $XCRYSDEN_TOPDIR $XCRYSDEN_SCRATCH $ARGS >/dev/null
---------------------------------------------------
I have tested several examples, and found the problem just come from the grid given in the bxsf file (or in calculations).
For example in example RhBulkFcc.bxsf, the k-point grid is 32*32*32, however if I change the grid to 128*128*2,
xcrysden will crash and give the error as above.
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.
PS: Attachment is another example which crash xcryden and show the bug.
Best Wishes
Zhenhua Zeng
-----下面为附件内容-----
_______________________________________________
XCrySDen mailing list
XCrySDen at democritos.it
http://www.democritos.it/mailman/listinfo/xcrysden
___________________________________________________________
好玩贺卡等你发,邮箱贺卡全新上线!
http://card.mail.cn.yahoo.com/
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://www.democritos.it/pipermail/xcrysden/attachments/20090520/5a983c4d/attachment.htm
More information about the XCrySDen
mailing list