[Wien] IEEE_UNDERFLOW_FLAG IEEE_DENORMAL

[Ramsewak Kashyap]

Sir,
I am trying one most common example TiC in newly installed wien2k
code. and getting following error:


next is setrmt
 next is nn
STOP NN ENDS
 specify nn-bondlength factor: (usually=2) [and optionally dlimit,
dstmax (about 1.d-5, 20)]
 DSTMAX:   20.000000000000000
 iix,iiy,iiz           5           5           5   40.893689999999992
      40.893689999999992        40.893689999999992

    ATOM  1  Ti         ATOM  2  C
 RMT(  1)=2.12000 AND RMT(  2)=1.74000
 SUMS TO 3.86000  LT.  NN-DIST= 4.08937

    ATOM  2  C          ATOM  1  Ti
 RMT(  2)=1.74000 AND RMT(  1)=2.12000
 SUMS TO 3.86000  LT.  NN-DIST= 4.08937
0.0u 0.0s 0:00.00 0.0% 0+0k 0+0io 0pf+0w
 next is sgroup
>   sgroup	(16:23:21) 0.0u 0.0s 0:00.00 0.0% 0+0k 0+0io 0pf+0w
  Names of point group: m-3m   4/m -3 2/m   Oh
  Names of point group: m-3m   4/m -3 2/m   Oh
Number and name of space group: 225 (F m -3 m)
 next is symmery
>   symmetry	(16:23:21) Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
0.0u 0.0s 0:00.00 0.0% 0+0k 0+0io 0pf+0w
 next is lstart
 2 Atoms found: Ti C
generate atomic configuration for atom 1 : Ti
generate atomic configuration for atom 2 : C
  SELECT XCPOT:
  recommended: PBE    [(13) GGA of Perdew-Burke-Ernzerhof 96]
               LDA    [( 5)]
               WC     [(11)  GGA of Wu-Cohen 2006]
               PBESOL [(19) GGA of Perdew etal. 2008]
  SELECT ENERGY to separate core and valence states:
  recommended: -6.0 Ry (check how much core charge leaks out of MT-sphere)
  ALTERNATIVELY: specify charge localization (between 0.97 and 1.0) to
select core state
Note: The following floating-point exceptions are signalling:
IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
STOP LSTART ENDS
>   inputfiles prepared	(16:23:21)
 inputfiles prepared
 next is kgen
STOP KGEN ENDS
  NUMBER OF K-POINTS IN WHOLE CELL: (0 allows to specify 3 divisions of G)
 length of reciprocal lattice vectors:   1.331   1.331   1.331  10.000
 10.000  10.000
          47  k-points generated, ndiv=          10          10          10
 next is dstart
>   dstart  -p	(16:23:21) running dstart in single mode



-- 
Ram
​ Kashyap
Saha Institute of Nuclear Physics
9473811023
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