Dear Quantum Espresso users,
I am having trouble with Quantum Espresso v 5.1. regarding variable
cell optimization. When I had used Quantum Espresso v 5.0.2 it created
no problem but with the same input file QE v 5.1 terminates saying:
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Error in routine stop_exx (1):
dft is not hybrid, wrong call
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
I have attached both input and output file.
Please help me overcome this problem.
Thanks in advance
-------------- next part --------------
A non-text attachment was scrubbed...
Name: B1.vc-relax.inp
Type: chemical/x-gamess-input
Size: 1569 bytes
Desc: not available
Url :
http://pwscf.org/pipermail/pw_forum/attachments/20140624/15417e2b/attachment.bin
-------------- next part --------------
A non-text attachment was scrubbed...
Name: B1.vc-relax.out
Type: application/octet-stream
Size: 13043 bytes
Desc: not available
Url :
http://pwscf.org/pipermail/pw_forum/attachments/20140624/15417e2b/attachment.obj
