This appears to be due to a silly approach in gfortran, and almost certainly is not an error/problem and can be ignored -- see https://stackoverflow.com/questions/44308577/ieee-underflow-flag-ieee-denormal-in-fortran-77 .
_____ Professor Laurence Marks "Research is to see what everybody else has seen, and to think what nobody else has thought", Albert Szent-Gyorgi www.numis.northwestern.edu On Wed, May 9, 2018, 6:35 AM Ramsewak Kashyap <kashyapr...@gmail.com> wrote: > 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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