标题: CP2K在隐式溶剂水中进行结构优化时警告“The system(solute)has a non-negligible ... [打印本页] 作者Author: 科研好难 时间: 2024-4-13 21:38 标题: CP2K在隐式溶剂水中进行结构优化时警告“The system(solute)has a non-negligible ... 各位老师好，我的零维结构（图1 ）在隐式水溶剂（SCCS）下进行结构优化时出现了“The system(solute)has a non-negligible charge of +.001323.It is recommended to use non-periodic boundary conditions(PERIODIC none)combined with an appropriate Poisson solver(POISSON SOLVER MT or analytic)”警告，请问这是什么原因导致的，该怎么解决呢？输入文件在附件。