监测CP2k几何优化情况
终端输入：
grep -E "Informations at step|Decrease in energy|Convergence in|Conv. for|Conv. in|SCF run|GEOMETRY OPTIMIZATION COMPLETED|Total FORCE_EVAL" CdSe6ZnS27M2.out
终端输入：grep -E "Informations at step|Decrease in energy|Convergence in|Conv. for|Conv. in|SCF run|GEOMETRY OPTIMIZATION COMPLETED|Total FORCE_EVAL" CdSe6ZnS27M2.out