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专业: 凝聚态物性 II ：电子结构

[求助] 晶格常数计算过大，应力补偿是什么意思？求助大神~一篇英文文献里的一段话如何解读？

Geometric  relaxations  are done by keeping the in-plane lattice parameter ‘a’ fixed and relaxing the out-of-plane lattice parameter
‘c’. Residual force threshold was decreased to 0.5 eV/Å where necessary in order to resolve differences
between  states  close  in  energy.  An  external  stress  has  been  applied  along  the  c  axis  in  order  to
compensate for the overestimation of cell volume.

弛豫c轴，肯定是估计大了，但是说在c轴加一个额外应力来补偿是什么意思？加应力难道不是改变c轴吗？还有中间那一句“Residual force threshold was decreased to 0.5 eV/Å where necessary in order to resolve differences between  states  close  in  energy.”何解？

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