我用VASP优化完，查看结果时老出现 ZBRENT: fatal error in bracketing。please rerun with smaller EDIFF...
ZBRENT: fatal error in bracketing please rerun with smaller EDIFF, or copy CONTCAR to POSCAR and ...
I traced it back and found out theOUTCARis incomplete (so job is crashed) where we can find the actual error at the end of_scheduler-stdout.txtas: curvature: 0.00 expect dE= 0.107-305 dE for cont linesearch 0.104-305ZBRENT: fatal error in bracketingplease rerun with smaller EDIFF, or c...
If you run a calculation using IBRION = 2, the calculation can stop and you will get the following error: ZBRENT: fatal error: bracketing interval incorrect please rerun with smaller EDIFF, or copy CONTCAR to POSCAR and continue So far p...
很急，请问怎么解决，我也试过将CONT复制POS继续了，还是同样的问题，能量已经达到收敛标准了 ...
结构优化完结果老出现ZBRENT: fatal error in bracketing31 4/4 返回列表 上一页 1 2 3 4 查看: 5400 | 回复: 30 只看楼主@他人 存档 新回复提醒 (忽略) 收藏 在APP中查看 成为学术之美 禁虫 本帖内容被屏蔽 31楼2022-07-01 08:59:00 已阅 回复此楼 关注TA 给TA发消息 送TA红花 TA的回帖...
我用VASP优化完，查看结果时老出现 ZBRENT: fatal error in bracketing。please rerun with smaller EDIFF...
我用VASP优化完，查看结果时老出现 ZBRENT: fatal error in bracketing。please rerun with smaller EDIFF...