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金虫 (小有名气)

[求助] ./murn.x <inp.m >out.m 命令执行出错啦???? 已有1人参与

用murn状态方程来拟合晶格常数和计算体叹息模量时,按侯老师教程,准备好了输入文件如下
2
1
11.000  12.100  50
11
11.046 -742.839552
11.146 -747.427736
11.246 -751.097701
11.346 -753.919783
11.446 -755.954786
11.546 -757.267796
11.646 -757.899310
11.746 -757.904110
11.846 -757.335206
11.946 -756.234225
12.046 -754.638261
然后用命令./murn.x <inp.m >out.m执行出错了
no star: incomprehensible list input
apparent state: unit 5 (unnamed)
last format: list io
lately reading sequential formatted external IO
Aborted
求各位大神指点指点??????????
还有就是我计算的是一个单斜体系,那么输入文件inp.m的第二行用“1”合适不??????????
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cumt蝈蝈

木虫 (正式写手)

博众彩之长

【答案】应助回帖

第二行是原胞与晶胞体积之比,与你的体系有关
君子生非异也,善假于物也
2楼2014-01-17 15:45:29
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