求助，crest从2.1.2更新到3.0.2后无法正常使用

CuI2

我之前用crest2.1.2能正常使用，更新到3.0.2之后做构象搜索时光速提示MTD不收敛然后停止运行，此外做过渡态构象搜索，用constrain的MTD时提示初始结构优化失败，请问版本更新是更换了命令关键词吗？
以下是做中间体构象搜索关键词：crest mtdP1-2.xyz --shake 0 --noreftopo --cluster --chrg 0 --uhf 0
报错信息：
Trial MTD 1 did not converge!
Reducing the time step to  4.0 fs and trying again ...

Trial MTD 2 did not converge!
Reducing the time step to  3.0 fs and trying again ...

Trial MTD 3 did not converge!
Reducing the time step to  2.0 fs and trying again ...

Trial MTD 4 did not converge!
Reducing the time step to  1.0 fs and trying again ...

Trial MTD 5 did not converge!
Automatic MTD settings check failed!
Please try other settings manually.


下是过渡态的关键词
crest mtdTS1-2.xyz --shake 1 --noreftopo --cluster --chrg 0 --uhf 1 --cinp .xcontrol.sample

.xcontrol.sample
$constrain
  atoms: 5,8-10
  force constant=0.5
  reference=coord.ref
$metadyn
  atoms: 1-4,6,7,11-90
$end

报错信息：
  Initial geometry optimization failed!
  Please check your input and, if present, crestopt.log.

(crestopt.log是空的)
谢谢各位老师，麻烦了。