2021年7月8日
Find T_min and F_max in selective dynamics of POSCAR
摘要： #! /share/apps/anaconda3/bin/python# to find maximal "F" and minimum "T"in VASP's POSCAR Selective Dynamics # Attention:only suitable for all "T" (T T 阅读全文
posted @ 2021-07-08 21:00 BangBro 阅读(142) 评论(0) 推荐(0) 编辑