Two things: 1) For spin-polarized calculations the command is runsp_lapw -NI -i 1
2) You should never do spin-polarized and spin-unpolarized calculations in the same directory. F. Tran On Mon, 5 Nov 2012, tripurari sinha wrote: > Dear Prof.?Cottnier > ? > I have done the MBJ calculation for a simple perovskite system without > spin-polarization successfully. But when I tried for the spin-polarized case > for the same system it shows an error after running the following line: > ? > run_lapw -NI -i 1 > ? > The error is > ? > Error in LAPW1 > ? > "INILPW' - can't open unit :18 > 'INILPW' - filename : case.vsp > 'INILPW"- status:old?????????? form: formatted > 'LAPW1' -INILPW aborted unsuccessfully. > ? > Is this possible to do the MBJ??calculation for a spin-polarized case. > ? > Please help me to resolve this problem. > ? > With kind regards > T. P. Sinha > > From: Dr. T. P. Sinha > Department of Physics > Bose Institute > 93/1, Acharya Prafulla Chandra Road > Kolkata - 700009, India > Cell No. 09830159422
