Tutorials of VASP
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Friday, September 30, 2011. Http abhiramn.blogspot.com201006latex-on-blogspot.html. MathcalE mathrmdefect E mathrmdefect- E mathrmhost n mathrmC mu mathrmC-n mathrmH mu mathrmH, . Wednesday, June 18, 2008. VASP是采用的Berry phase方法来计算半导体和绝缘体材料的Born有效电荷这种方法的介绍可以参考VASP手册上提到的文献 如VASP手册上的介绍在采用Berry phase方法来计算某个原子某个方向的Born有效电荷时有两大步. Bp Berry phase项,. ISMEAR 0; SIGMA 0.002. 00 05 0.5. 05 00 0.5. 05 05 0.0. 0000 0.0000 0.0000. 0250 0.2500 0.2500. ISMEAR 0; SIGMA 0.002. 65288;注.CONTENT
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