关注: 1) GW计算过程中为什么需要先计算介电常数 2) 权威的官方实例文件解读 Dielectric properties of SiC http://cms.mpi.univie.ac.at/wiki/index.php/Dielectric_properties_of_SiC Description: the static and frequency dependent dielectric properties of SiC. Conten ...
关注: 1) GW计算的VASP实现过程及物理含义 2) 数据处理 Recipe for G W calculations GW calculations always require the calculation of a standard DFT WAVECAR file in an initial step, using for instance the following INCAR file: ...