Dear Mayuri, Please try to use the tool ibrav2cell.x to convert the structure used in QE to that of Wannier90. You can find it from /PW/tools/
HTH, ================================================== Minkyu Park Research Institute of Basic Sciences, University of Ulsan, 93, Daehak-ro, Nam-gu, Ulsan, 44610 Republic of Korea [email protected]<mailto:[email protected]> +82-52-259-1473 ================================================== On 1 Jun 2021, at 7:05 PM, Bikash Patra <[email protected]<mailto:[email protected]>> wrote: Dear Mayuri, The error means the lattice parameter you are using in your quantum espresso scf or nscf file is not the same as that of your .win file. Check also the unit whether you are using Bohr or Angstrom. Bikash Patra, NISER, Bhubaneswar. On Tue, Jun 1, 2021 at 3:20 PM Mayuri Bora <[email protected]<mailto:[email protected]>> wrote: I am still waiting for the reply. Thank You > 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. > 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<http://www.max-centre.eu/>) users mailing list [email protected]<mailto:[email protected]> https://lists.quantum-espresso.org/mailman/listinfo/users _______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu<http://www.max-centre.eu>) users mailing list [email protected]<mailto:[email protected]> https://lists.quantum-espresso.org/mailman/listinfo/users
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