#LSORBIT = .TRUE.; ISYM=0. 2.-pCOHP<0 反键区域，-pCOHP>0，成键区域，费米能级向上(反键区域）移动，材料失稳；反之，材料稳定性增加。 The ....
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大神一出手就知道有 ... LSORBIT = .TRUE. is equivalent to a self-consistent calculation with ....
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作者：G Ceder · 2012 · 被引用次数：2 — layers for application (among others) as high power density sources for ... 117) by using the LSORBIT tag in VASP with quantization axis in the plane-.. 仿真秀.
注册登录|下载APP. VASP结合vaspkit+ShengBTE计算热电优值（二 ... LSORBIT=.TRUE.参数，并定义初始磁矩的方向。计算磁各向异性的推荐步骤 ....