标题: cp2k请教，想问一下More added MOs requested than...警告会对输出结果有影响嘛？ [打印本页] 作者Author: honor 时间: 2024-7-30 09:49 标题: cp2k请教，想问一下More added MOs requested than...警告会对输出结果有影响嘛？ 请教老师，我最近刚接触cp2k，想问一下这个警告会对输出结果有影响嘛？
*** WARNING in qs_environment.F:1519 :: More added MOs requested than ***
*** available. The full set of unoccupied MOs will be used. Use ***
*** 'ADDED_MOS -1' to always use all available MOs and to get rid of this ***
*** warning. ***