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sssdashuai

银虫 (小有名气)

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[交流] 【求助】帮忙看看是什么问题

+-----------+-----------------+-----------------+------------+-----+ <-- BFGS
| Parameter |    value    | tolerance | units | OK? | <-- BFGS
+-----------+-----------------+-----------------+------------+-----+ <-- BFGS
|  dE/ion | 2.642388E-002 | 5.000000E-005 |       eV | No  | <-- BFGS
| Smax | 3.523339E-001 | 2.000000E-001 |       GPa | No  | <-- BFGS
+-----------+-----------------+-----------------+------------+-----+ <-- BFGS

BFGS: Warning - Repeated consecutive reset of inverse Hessian
BFGS:          without satisfying convergence criteria which
BFGS:          looks like BFGS has run out of search directions.
BFGS: Warning - Lets try allowing some uphill steps and see if
BFGS:          we can get around this barrier.
BFGS: Warning - It is possible that the system may now converge to
BFGS:          a stationary point OTHER than the desired minimum.
BFGS: Hint - this may be an indication that either:
BFGS:          a) you are using a poor guess at geom_frequency_est
BFGS:          and/or geom_modulus_est, or
BFGS:          b) you are using unrealistic convergence criteria.
BFGS:          Suggest therefore that you consider changing them!
刚学还不懂，有谁知道一下看看这是什么原因  哪出错了该怎么修改设置啊

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