logfile提示：RHOPOT WARNING: NEGATIVE CHARGE DENSITY FOUND OF

 RHOPOT WARNING: NEGATIVE CHARGE DENSITY FOUND OF  -4.22E-03 FOR SPIN  2
 warning: cannot accurately determine the fermi level
 consider e-
 consider e+
 consider results
 e- -0.269518617329080      q-   275.000000000000     
 e+ -0.269518617329057      q+   276.000000000000     
 valenceCharge   238.000000000000     
 chargeLower   225.000000000000     
 chargeUpper   236.000000000000   

发现如果把作业拷贝到/tmp，然后在/tmp去提交作业，就会出现这种错误。而在用户自己的路径下提交作业，就是正常的。