VASP计算警告、错误记录并解决

http://www.error.wiki/VASP

问题①：
{ 0, 0}: On entry to
PZSTEIN parameter number 4 had an illegal value
{ 4, 0}: On entry to
PZSTEIN parameter number 4 had an illegal value
{ 5, 0}: On entry to
PZSTEIN parameter number 4 had an illegal value
{ 3, 2}: On entry to

诊断：初始结构POSCAR太差
方案：检查CONTCAR文件，看是否与理想中的结构差异太大，再根据CONTCAR调整INCAR的参数，再进行计算