Dear siesta user's i would calculate the optical properties of ZnO using LDAU method. for this reason i have instaled the siesta ldau 308 version under cygwin and linux. i have tried to run the optical prroperties of the unitcell ZnO. the optical properties was calculated in normal manner with 3x3x3 optical kgrid however, when i tried to use more dense kgrid (4x4x4 or 5x5x5) the code run in scf part only and don't calculate the optical properties with the next error message:
$ /home/ldau/Obj/siesta <ZnO.fdf> ZnO.out Program received signal SIGABRT: Process abort signal. Backtrace for this error: #0 0x55416812 #1 0x55496EEB #2 0x6103048D Aborted (core dumped) please if any one have a suggestion or a solution let me know best regards M Lahmer Department of physics university of boumerdes algeria
