[Wien] gmin and gmax in case.outputd

delamora delamora at unam.mx
Thu Jul 4 14:49:58 CEST 2019


I find a small error in case.outputd
At the beginning of the file I see
=================
gmin =    4.80000
gmax =   12.00000
...................
       KVEC(        27) =     0    0   -8    4.732978    6
       KVEC(        28) =    -3   -3   -7    4.842637   24
...................
       KVEC(       271) =     7   -1  -19   11.994038   48
       KVEC(       272) =    11   -1  -17   11.994038   48
        SIZE INCLUDING STAR MEMBERS =       8801
 =>  272 FOURIER COEFFICIENTS CALCULATED UP TO GMIN    <=
       272 FOURIER COEFFICIENTS CALCULATED UP TO GMAX

This last GMIN has the wrong number of "FOURIER COEFFICIENTS", it gives 272 and it should be 27

Pablo de la Mora
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