Dear QE user
I am trying to interface wannier and QE with pw2wannier90.x. I am getting
continuous error in direct lattice mismatch. The output as shown below-
Spin CASE ( non-collinear )
Wannier mode is: standalone
-----------------
*** Reading nnkp
-----------------
Checking info from wannier.nnkp file
Something wrong!
rlatt(i,j) = 8.335061334110377E-002 at(i,j)= 1.00000000000000
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Error in routine pw2wannier90 (4):
Direct lattice mismatch
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
stopping ...
I will be thankful if i get some help in this regard.
regards
Mayuri
Mayuri Bora
INSPIRE Fellow
Advanced Functional Material Laboratory
Tezpur University
Napaam
http://www.tezu.ernet.in/afml/
* * * D I S C L A I M E R * * *
This e-mail may contain privileged information and is intended solely for the
individual named. If you are not the named addressee you should not
disseminate, distribute or copy this e-mail. Please notify the sender
immediately by e-mail if you have received this e-mail in error and destroy it
from your system. Though considerable effort has been made to deliver error
free e-mail messages but it can not be guaranteed to be secure or error-free as
information could be intercepted, corrupted, lost, destroyed, delayed, or may
contain viruses. The recipient must verify the integrity of this e-mail message.
_______________________________________________
Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
users mailing list [email protected]
https://lists.quantum-espresso.org/mailman/listinfo/users
