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[qxz@umich.edu]

Dear users:
    I got the following error when I did GW calculation for rutile TiO2. (I 
just want to create KSS and SCR files for further convergence test just like 
tutorial 6.2):
 "     - outkss - ERROR:
   Non-symmorphic operations still remain in the symmetries list
   Program does not stop but _KSS file will not be created... "
 The following is my input file, the error appeared after dataset2.  Dataset3 
can't read KSS file because dataset2 didn't create it.(BTW, I use GGA)

ndtset      3
# Dataset1: usual self-consistent ground-state calculation
kptopt1  1           
ngkpt1   8 8 8
toldfe1  1.0d-6    
prtden1  1     
    
# Dataset2: calculation of kss file
kptopt2  0            
nkpt2    1              
kpt2     0.0  0.0  0.0  
istwfk2  1             
iscf2    -2             
getden2  -1             
tolwfr2  1.0d-10      
nband2   33
# Definition of parameters for the calculation of the kss file
nbandkss2 -1        # Number of bands in KSS file (the maximum possible)

# Dataset3: Calculation of the screening (epsilon^-1 matrix)
optdriver3  3
getkss3     -1
nband3      97
ecutwfn3    10.0
ecuteps3    25.0
ppmfrq3    16.7 eV

# Definition of the unit cell: fcc
acell  8.9580526140 8.9580526136 5.8118572208
rprim  1.0  0.0  0.0
       0.0  1.0  0.0
       0.0  0.0  1.0
ntypat  2
znucl 8 22
natom 6
typat 1 1 1 1 2 2
xred
      0.30566819019   0.30566819019   0.0
      0.69433180981   0.69433180981   0.0
      0.80566819019   0.19433180981   0.5
      0.19433180981   0.80566819019   0.5
      0.0                       0.0                       0.0
      0.5                       0.5                       0.5
ecut 36.0          
nstep   20       
diemac  120.0                
timopt -1