[Wien] error in factorization in running BoltzTrap.

DibyaR Prakash dibyaprakashrai at gmail.com
Mon May 26 04:49:16 CEST 2014


Dear wien2k users

I am calculating the transport properties of magnetic system Fe2MnCrSi
(spin polarized system).
wHile running I have encountered the follwing error

"error in factorization"

May I kindly know the solution. My case..intrans file is like this

WIEN                      # Format of DOS
0 0 0 0.0                 # iskip (not presently used) idebug setgap
shiftgap
0.67951   0.0001  1.5 91  # Fermilevel (Ry), energygrid, energy span
around Fermilevel, #of electrons
CALC                      # CALC (calculate expansion coeff), NOCALC
read from file
5                         # lpfac, number of latt-points per k-point
BOLTZ                     # run mode (only BOLTZ is supported)
0.15                      # (efcut) energy range of chemical potential
800.        50.0          # Tmax, temperature grid
-1                        # energyrange of bands given individual DOS
output sig_xxx and dos_xxx (xxx is band number)
HISTO

With regards
D. P. Rai


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