Dear Sadegh, If I were to hazard a guess, I’d say that you are probably studying CH3NH3PbI3? Since you have asked the code to project onto 3 x p orbitals for each of Pb, I, C, and N, and 1 x s orbital for H, and assuming you are studying a single unit cell, that gives 24 projections in your simulation, which is more than 13 WFs specified by NUM_WANN.
If you haven’t yet done so, and if you are a new user of the code, please do work through the (lovingly created!) Wannier90 tutorial exercises (available at http://www.wannier.org/support/ and in the source distribution). These should help you learn how to run the code. Best wishes, Arash — Professor Arash Mostofi — www.mostofigroup.org<http://www.mostofigroup.org> Director, Thomas Young Centre @Imperial Imperial College London On 5 Apr 2023, at 12:14, Mohammad Sadegh Talezadehlari <mohammad.talezadehl...@uni-rostock.de<mailto:mohammad.talezadehl...@uni-rostock.de>> wrote: Dear All, I recently started using wannier90 interfaced with VASP. In order to make wannier90 initial files I add below commands into my INCAR and I get the .amn, .mmn, .eig, and .win files correctly. NBANDS = 32 NUM_WANN = 13 WANNIER90_WIN = " Begin Projections Pb:l=1 I:l=1 C:l=1 N:l=1 H:l=0 End Projections " I am also interested only in WF projections that's why I add num_iter = 0 into wannier90.win<http://wannier90.win/> file. Then I run wannier90, but I get below error: "wannier90.amn has not the right number of projections" My .amn file started with: File generated by VASP: unknown system 32 64 13 1 1 1 0.000141938645 0.000006786219 2 1 1 -0.000010929689 -0.000000532293 . . . Can you please help me with this issue? Kind regards, Sadegh Talezadeh University of Rostock _______________________________________________ Wannier mailing list Wannier@lists.quantum-espresso.org<mailto:Wannier@lists.quantum-espresso.org> https://lists.quantum-espresso.org/mailman/listinfo/wannier
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