[Pw_forum] Re: Pw_forum digest, Vol 1 #1325 - 4 msgs

[Amit Kumar]

Respected Users,

 I'm getting following error  in new version of pwscf code to calculate
electron phonon coupling.

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     from elphsum : error #         1
     q is not a vector in the dense grid
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

when  I'm using only one special q point

0.6666667   0.0   0.0

( Can anyone  tell me is the above co-ordinates correct  for Graphite
K-POINT???? )

There is no error if I use the old version's scf nscf phonon nscf elec
phonon method
instead of using new version's la2F=.true. procedure with automatic k-point.

How to get rid of this error in the new version????
Your kind help will be greatly appreciated.

Regards
Amit
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