The accuracy of the forces in VASP has been improved, with precision now ranging from 4 to 7-8 significant digits. Previously, 1st order finite differ
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VASP 的 VASP 简明手册,内容比较精炼,页面也挺清爽。你要是做材料模拟,尤其用得多像INCAR、KPOINTS这些输入文件格式,翻一眼这个手册蛮有的。常用参数一目了然,不用到处翻文档。 结构优化和能量计算部分讲得比较清楚,连怎么设置ISIF、IBRION都有简表,省事多了。像我经常改参数试收
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