[Wannier] Reg: How to generate amn and mmn files using wannier90-2.0.0 with VASP544 for SOC case

[pachineela rambabu]

Dear All,
            I read from research gate and from web that we can produce amn
and mmn files with SOC also. Please let me know how to get that.

thanks,

On Tue, Nov 13, 2018 at 2:48 PM Peram sreenivasa reddy <
peramsreenivas at gmail.com> wrote:

> Dear Rambabu,
>
> From the vaspwiki it is written as bellow.
>
> *N.B.*: At present the VASP2WANNIER90 interface works with WANNIER90
> v1.2, not with WANNIER90 v2.0 (yet).
>
>
> Please have a look at
> https://cms.mpi.univie.ac.at/wiki/index.php/LWANNIER90
>
> Thanking you.
>
>
> On Tue, Nov 13, 2018 at 10:51 AM pachineela rambabu <rams.hcu at gmail.com>
> wrote:
>
>> Dear wannier forum,
>>                                     I tried to generate mmn and amn files
>> with SOC for Li2CaSn. This is my wannier90.win input:
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>> *begin projectionsLi : sCa : s; p; dSn : s; p; dend projections num_bands
>> =    96 num_wann  =    40*
>> * spinors         = .true.*
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>> Then I run, vasp_ncl, but I am getting the following error:
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>> * LDA part: xc-table for Pade appr. of Perdew POSCAR, INCAR and KPOINTS
>> ok, starting setup FFT: planning ... WAVECAR not read entering main
>> loop       N       E                     dE             d eps       ncg
>> rms          rms(c)DAV:   1     0.348492164021E+03    0.34849E+03
>> -0.11750E+04153936   0.782E+02DAV:   2     0.428986980045E+02
>> -0.30559E+03   -0.27944E+03132608   0.316E+02DAV:   3
>> 0.781613476478E+00   -0.42117E+02   -0.40960E+02161968   0.771E+01DAV:
>> 4    -0.528927419461E+01   -0.60709E+01   -0.59223E+01246576
>> 0.223E+01DAV:   5    -0.537153039668E+01   -0.82256E-01
>> -0.82234E-01157216   0.299E+00    0.257E+01DAV:   6
>> -0.106881550815E+02   -0.53166E+01   -0.18627E+00254064   0.927E+00
>> 0.110E+01DAV:   7    -0.119119719252E+02   -0.12238E+01
>> -0.35651E-01161152   0.379E+00    0.164E+00DAV:   8
>> -0.119185383399E+02   -0.65664E-02   -0.14901E-01167168   0.186E+00
>> 0.841E-01DAV:   9    -0.119273973731E+02   -0.88590E-02
>> -0.16142E-02168336   0.886E-01    0.212E-01DAV:  10
>> -0.119285679205E+02   -0.11705E-02   -0.34128E-03169104   0.275E-01
>> 0.923E-02DAV:  11    -0.119287263021E+02   -0.15838E-03
>> -0.47571E-04168528   0.999E-02    0.404E-02DAV:  12
>> -0.119288028576E+02   -0.76556E-04   -0.99832E-05160496   0.450E-02
>> 0.123E-02DAV:  13    -0.119288068637E+02   -0.40061E-05
>> -0.11304E-05160336   0.161E-02    0.643E-03DAV:  14
>> -0.119288074278E+02   -0.56411E-06   -0.20388E-06159296
>> 0.688E-03 Projection   1 done. Projection   2 done. Projection   3
>> done. Projection   4 done. Projection   5 done. Projection   6
>> done. Projection   7 done. Projection   8 done. Projection   9
>> done. Projection  10 done. Projection  11 done. Projection  12
>> done. Projection  13 done. Projection  14 done. Projection  15
>> done. Projection  16 done. Projection  17 done. Projection  18
>> done. Projection  19 done. Projection  20 done. Projection  21
>> done. Projection  22 done. Projection  23 done. Projection  24
>> done. Projection  25 done. Projection  26 done. Projection  27
>> done. Projection  28 done. Projection  29 done. Projection  30
>> done. Projection  31 done. Projection  32 done. Projection  33
>> done. Projection  34 done. Projection  35 done. Projection  36
>> done. Projection  37 done. Projection  38 done. Projection  39
>> done. Projection  40 done. Projection  41 done. Projection  42
>> done. Projection  43 done. Projection  44 done. Projection  45
>> done. Projection  46 done. Projection  47 done. Projection  48
>> done. Projection  49 done. Projection  50 done. Projection  51
>> done. Projection  52 done. Projection  53 done. Projection  54
>> done. Projection  55 done. Projection  56 done. Projection  57
>> done. Projection  58 done. Projection  59 done. Projection  60
>> done. Projection  61 done. Projection  62 done. Projection  63
>> done. Projection  64 done. Projection  65 done. Projection  66
>> done. Projection  67 done. Projection  68 done. Projection  69
>> done. Projection  70 done. Projection  71 done. Projection  72
>> done. Projection  73 done. Projection  74 done. Projection  75
>> done. Projection  76 done. Projection  77 done. Projection  78
>> done. Projection  79 done. Projection  80 done. MLWF_WANNIER90: ERROR:
>> number of projections not equal to num_wann          80          40*
>> Please help me how to get amn and mmn files for SCO case.
>>
>> Sincerely,
>>
>>
>> --
>> *P. Rambabu*
>> PhD Scholor
>> Physics, IIT Hyderabad
>> Mobile: 9074508220.
>> _______________________________________________
>> Wannier mailing list
>> Wannier at lists.quantum-espresso.org
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>>
>
>
> --
> *P.V.SREENIVASA REDDY*
>
> *Research ScholarDepartment of Physics *
> *Indian Institute of Technology*
> *Hyderabad*
>


-- 
*P. Rambabu*
PhD Scholor
Physics, IIT Hyderabad
Mobile: 9074508220.
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