[gpaw-users] Does PW and stress tensor optimization work with CG eigensolver?

[Rasmus Karlsson]

Hi!
Do stress tensor optimizations work with the CG eigensolver in PW mode? 
I just tried running such a calculation, but got the following error:

"  File "/home/r/rasmusk/pfs/programs/gpaw_trunk_abisko/gpaw/hs_operator
s.py", line 13, in reshape
     R_nG = reshape(self.Htpsit_nG, psit_nG.shape)
   File "/home/r/rasmusk/pfs/programs/gpaw_trunk_abisko/gpaw/hs_operator
s.py", line 13, in reshape
     return a_x.ravel()[:np.prod(shape)].reshape(shape)
AttributeError: 'NoneType' object has no attribute 'ravel'
GPAW CLEANUP (node 68): <type 'exceptions.AttributeError'> occurred.  
Calling MPI_Abort!
"

Thanks,
Rasmus


-- 
Rasmus Karlsson, PhD student
Applied Electrochemistry
School of Chemical Science and Engineering
KTH Royal Institute of Technology
SE-100 44 Stockholm
Sweden