[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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