vaspkit计算弹性系数C33没有计算
在第一批量计算完成后,将VPKIT.in中第一行变成2,转换弹性矩阵时出现该提醒,经查看c33及c44等文件夹没有计算data:image/png;base64,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
查看vaspkit输出晶系信息是否包含C33和C44常数。
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