5.0.2 版计算电声耦合常数分为以下几个步骤: 1. make a self-consistent calculation for Alusing a dense grid of k-points. The dense grid must contain all kand k+q grid points used in the subsequent electron-phonon calculation and must be denseenough to produce accurate ...
关注: 1) 电声耦合常数的物理意义; 2) 计算原理; 3) 计算步骤; 4) 后处理步骤得到超导温度 1. PWSCF5.0.2 : example 03解读 Sincev.5.0, there are two ways of calculating electron-phonon coefficients 【哪两种?】 , distinguished according to the value of variable ...