<div dir="ltr"><div dir="ltr"><div>Dear wannier forum,</div><div>                                    I tried to generate mmn and amn files with SOC for Li2CaSn. This is my wannier90.win input:</div><div><b>begin projections<br>Li : s<br>Ca : s; p; d<br>Sn : s; p; d<br>end projections<br><br> num_bands =    96<br> num_wann  =    40</b></div><div><b> spinors         = .true.</b></div><div><br></div><div>Then I run, vasp_ncl, but I am getting the following error:</div><div><br></div><div><div><b> LDA part: xc-table for Pade appr. of Perdew<br> POSCAR, INCAR and KPOINTS ok, starting setup<br> FFT: planning ...<br> WAVECAR not read<br> entering main loop<br>       N       E                     dE             d eps       ncg     rms          rms(c)<br>DAV:   1     0.348492164021E+03    0.34849E+03   -0.11750E+04153936   0.782E+02<br>DAV:   2     0.428986980045E+02   -0.30559E+03   -0.27944E+03132608   0.316E+02<br>DAV:   3     0.781613476478E+00   -0.42117E+02   -0.40960E+02161968   0.771E+01<br>DAV:   4    -0.528927419461E+01   -0.60709E+01   -0.59223E+01246576   0.223E+01<br>DAV:   5    -0.537153039668E+01   -0.82256E-01   -0.82234E-01157216   0.299E+00    0.257E+01<br>DAV:   6    -0.106881550815E+02   -0.53166E+01   -0.18627E+00254064   0.927E+00    0.110E+01<br>DAV:   7    -0.119119719252E+02   -0.12238E+01   -0.35651E-01161152   0.379E+00    0.164E+00<br>DAV:   8    -0.119185383399E+02   -0.65664E-02   -0.14901E-01167168   0.186E+00    0.841E-01<br>DAV:   9    -0.119273973731E+02   -0.88590E-02   -0.16142E-02168336   0.886E-01    0.212E-01<br>DAV:  10    -0.119285679205E+02   -0.11705E-02   -0.34128E-03169104   0.275E-01    0.923E-02<br>DAV:  11    -0.119287263021E+02   -0.15838E-03   -0.47571E-04168528   0.999E-02    0.404E-02<br>DAV:  12    -0.119288028576E+02   -0.76556E-04   -0.99832E-05160496   0.450E-02    0.123E-02<br>DAV:  13    -0.119288068637E+02   -0.40061E-05   -0.11304E-05160336   0.161E-02    0.643E-03<br>DAV:  14    -0.119288074278E+02   -0.56411E-06   -0.20388E-06159296   0.688E-03<br> Projection   1 done.<br> Projection   2 done.<br> Projection   3 done.<br> Projection   4 done.<br> Projection   5 done.<br> Projection   6 done.<br> Projection   7 done.<br> Projection   8 done.<br> Projection   9 done.<br> Projection  10 done.<br> Projection  11 done.<br> Projection  12 done.<br> Projection  13 done.<br> Projection  14 done.<br> Projection  15 done.<br> Projection  16 done.<br> Projection  17 done.<br> Projection  18 done.<br> Projection  19 done.<br> Projection  20 done.<br> Projection  21 done.<br> Projection  22 done.<br> Projection  23 done.<br> Projection  24 done.<br> Projection  25 done.<br> Projection  26 done.<br> Projection  27 done.<br> Projection  28 done.<br> Projection  29 done.<br> Projection  30 done.<br> Projection  31 done.<br> Projection  32 done.<br> Projection  33 done.<br> Projection  34 done.<br> Projection  35 done.<br> Projection  36 done.<br> Projection  37 done.<br> Projection  38 done.<br> Projection  39 done.<br> Projection  40 done.<br> Projection  41 done.<br> Projection  42 done.<br> Projection  43 done.<br> Projection  44 done.<br> Projection  45 done.<br> Projection  46 done.<br> Projection  47 done.<br> Projection  48 done.<br> Projection  49 done.<br> Projection  50 done.<br> Projection  51 done.<br> Projection  52 done.<br> Projection  53 done.<br> Projection  54 done.<br> Projection  55 done.<br> Projection  56 done.<br> Projection  57 done.<br> Projection  58 done.<br> Projection  59 done.<br> Projection  60 done.<br> Projection  61 done.<br> Projection  62 done.<br> Projection  63 done.<br> Projection  64 done.<br> Projection  65 done.<br> Projection  66 done.<br> Projection  67 done.<br> Projection  68 done.<br> Projection  69 done.<br> Projection  70 done.<br> Projection  71 done.<br> Projection  72 done.<br> Projection  73 done.<br> Projection  74 done.<br> Projection  75 done.<br> Projection  76 done.<br> Projection  77 done.<br> Projection  78 done.<br> Projection  79 done.<br> Projection  80 done.<br> MLWF_WANNIER90: ERROR: number of projections not equal to num_wann          80<br>          40</b></div><div>Please help me how to get amn and mmn files for SCO case.</div><div><br></div><div>Sincerely,</div><div><br></div></div><div><br>-- <br><div dir="ltr" class="gmail_signature"><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div><div><div><b>P. Rambabu</b><br></div>PhD Scholor<br></div><div>Physics, IIT Hyderabad<br></div></div>Mobile: 9074508220.<br></div></div></div></div></div></div></div></div></div>