博文
- stress measures
- The Kirchhoff stress ( {displaystyle {boldsymbol {tau }}} ). The Nominal stress ( {displaystyle {boldsymbol {N}}} ). The first Piola-Kirchhoff stress ( {displaystyle {boldsymbol {P}}} ). This stress tensor is the transpose of the nominal stress ( {displaystyle {boldsymbol ...
- 计算弹性常数NFREE参数对计算结果的影响
- 热度 1
- 以石墨烯为例，验证NFREE=2和4对计算结果的影响，发现影响很小。
- WARNING: Sub-Space-Matrix is not hermitian in DAV VASP
- 静态计石墨烯原胞，计算报错： WARNING: Sub-Space-Matrix is not hermitian in DAV 4 5.466653149832755E-004 WARNING: Sub-Space-Matrix is not hermitian in DAV 5 6.390243522781398E-004 WARNING: Sub-Space-Matrix ...
