<div dir="ltr"><div>using the following 2 lines from my run script, the pw2wannier.x runs but fails:<br>export ESPRESSO_NPROCS=64<br>pw2wannier90.x <l0.pw2wan> pw2wan.out<br><br></div><div>here is the input file l0.pw2wan:<br>
&inputpp <br> outdir = './'<br> prefix = 'pwscf'<br> seedname = 'l0'<br> spin_component = 'none'<br> write_mmn = .true.<br> write_amn = .true.<br> write_unk = .true.<br>/<br>
<br></div><div>I ran scf, nscf, and wannier.x -pp all with the same number of kpoints.<br></div><div>my wannier -pp generates the file l0.nnkp.<br><br><br><br></div><div>here are the last few lines of pw2wan.out:<br><br> Spin CASE ( default = unpolarized )<br>
<br> Wannier mode is: standalone <br> <br> -----------------<br> *** Reading nnkp <br> -----------------<br> <br> Checking info from wannier.nnkp file<br> <br> Something wrong! <br> rlatt(i,j) = 1.88972613288564 at(i,j)= 1.00000000000000 <br>
<br><br></div><div>would someone be able to tell me what i am doing wrong?<br></div><div>tnx,<br></div><div>jb<br></div></div>