第一次讨论：答网友STEEL的Fe3C问题

   原文：Fe3C的错误遮挡了余瑞璜思想的光芒：答网友STEEL的Fe3C问题

经过网友STEEL用Diamond软件画出Fe3C的晶胞,看出了我的缺少键的原因。

本博主在这里向网友STEEL致敬！

如果选用一个晶胞，计算出的键不完全。如果使用计算机扫描，晶胞选的越大越好！但是，晶胞太大往往会溢出。

张瑞林：《固体与分子经验电子理论》（吉林科学技术出版社，1993年）

附录：

1. 张瑞林：《固体与分子经验电子理论》关于Fe3C的论述

2. 刘志林等：《界面电子结构与界面性能》关于Fe3C的论述

3. 博主计算的关于Fe3C的结果（简化版）

1. 张瑞林：《固体与分子经验电子理论》关于Fe3C的论述 

2. 刘志林等：《界面电子结构与界面性能》关于Fe3C的论述

3. 博主计算的关于Fe3C的结果（简化版）

"a=",5.0787,"b=",6.7297,"c=",4.5144

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4,"  ","4c-C","---","8d-Fe","      d===",2.3091

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6,"  ","8d-Fe","---","8d-Fe","      d===",2.5146

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