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[jhh323@stanford.edu]

Dear all, 

I have a question..

I'm trying to get GW corrections on some oxide material. 
Before doing convergence tests, wanted to get _KSS and _SCR files,   
so I've been trying to run the simulations starting from the 
usual self-consistent calculations followed by 2 more data sets
for the calculations of KSS (set 2)  and SCR (set 3). 

But it doesn't give me _KSS. There comes  _DS2_KSS , but practically 
nothing is written there. Consequently, simulation stops right after entering 
data set 3 , because nothing's to be read to calculate SCR. 

And log says, at the end of the data set 2 , as follows :



-------------------------------------------------------------------------
   Calculating and writing out Kohn-Sham electronic Structure file
 Using diagonalized wavefunctions and energies (kssform=1)

 Additional amount of memory required by "outkss" routine=  986.29 Mbytes.

 Sorting g-vecs for an output of states on an unique "big" PW basis.

 The inversion is the symmetry operation no.   5
 The symmetry operations no.   1 and no.   5 are related through the 
inversion.
 The symmetry operation no.   1 will be suppressed.
 The symmetry operations no.   2 and no.   6 are related through the 
inversion.
 The symmetry operation no.   6 will be suppressed.
 The symmetry operations no.   3 and no.   7 are related through the 
inversion.
 The symmetry operation no.   7 will be suppressed.
                   .
                   . 
                   .

 The symmetry operations no. 187 and no. 191 are related through the 
inversion.
 The symmetry operation no. 191 will be suppressed.
 The symmetry operations no. 188 and no. 192 are related through the 
inversion.
 The symmetry operation no. 192 will be suppressed.
 Inversion related operations have been suppressed from symmetries list.
 - outkss - ERROR:
   Non-symmorphic operations still remain in the symmetries list
   Program does not stop but _KSS file will not be created...

------------------------------------------------------------------------------

Have you seen problems like this before?
Any clue to solve it?


Thanks!!