Tryto use computers with large memory. Optical calculation needs much more memory than scf. Or reduce the k size for optical calculation. This would most solve your problem.
-------- 原始邮件 -------- 发件人：ali lahmer <[email protected]> 时间：周一 1月26日 12:46 收件人：[email protected] 主题：[SIESTA-L] LDAU calculation run with problem >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
