vasp优化Zr3C2赝势的选择求助

渠梦楠

各位前辈好，我在用vasp优化Zr3C2材料会出现如下错误： ZBRENT: fatal error: bracketing interval incorrect     please rerun with smaller EDIFF, or copy CONTCAR to POSCAR and continue
我已经按照要求改变EDIFF，和 复制CONTCAR to POSCAR 重新计算，但是依然报同样的错误。当我对Zr的PAW进行改变时，由原来的PAW Zr_sv改变为PAW Zr_sv_GW，优化就不会报错。请问选择PAW Zr_sv_GW是否合理？我的INCAR参数文件如下所示:
SYSTEM = VB2
ISTART = 0     
ICHARGE = 2     
PREC = Normal
LREAL = Auto
ALGO = Fast


IBRION = 2     
ISIF = 2        
NSW = 1000      
POTIM = 0.2     
EDIFFG = -0.02  
LMAXMIX = 4

NELM = 200
ENCUT = 500      
EDIFF = 1E-5
ISMEAR = 0      
SIGMA = 0.1   
LCHARG = .F.   
LWAVE =  .F.  
NELMIN = 4


# DFTD3
IVDW = 12