本人目前在测试二硫化钼压电系数的计算方法，在对二硫化钼进行优化和静态计算后，分别用手册上的LBERRY 和LCALCPOL两种方法求电偶极矩，出现如下错误：
1、LBERRY方法INCAR如下：
SYSTEM = INCAR
ISTART = 0
ICHARG = 11
PREC = High
LREAL= .FALSE.
NELM = 100
ENCUT= 500
EDIFF= 1E-6
ISIF = 2
IBRION = -1
NSW = 0
EDIFFG = -0.01
ISMEAR = 0
SIGMA= 0.05
LORBIT = 11
GGA = PE
LWAVE= .FALSE.
LCHARG = .TRUE.
IALGO= 38
LPLANE = .TRUE.
NPAR = 1
LSCALU = .FALSE.
NSIM = 4
LBERRY = .TRUE.
IGPAR= 1
NPPSTR = 8
DIPOL= 0.5 0.5 0.5
出现错误：VERY BAD NEWS! internal error in subroutine IBZKPT:
Reciprocal lattice and k-lattice belong to different class of lattices. Often results are still useful... 96
2、LCALCPOL方法仅改变方法对应的参数，出现下面错误
DAV:21 0.152708860856E+04 -0.73305E-05 -0.65452E-071764 0.408E-03 0.244E-02
DAV:22 0.152708860522E+04 -0.33422E-05 -0.69062E-081464 0.220E-03 0.244E-02
DAV:23 0.152708860475E+04 -0.46409E-06 -0.95659E-081332 0.193E-03
CHECK_OCCUPATIONS: ERROR, system is not insulating.
CALC_POLARIZATION: ERROR, system is not insulating, skipping...
CHECK_OCCUPATIONS: ERROR, system is not insulating.
CALC_POLARIZATION: ERROR, system is not insulating, skipping...
CHECK_OCCUPATIONS: ERROR, system is not insulating.
CALC_POLARIZATION: ERROR, system is not insulating, skipping...
CHECK_OCCUPATIONS: ERROR, system is not insulating.
求大神解答
