Re: [SIESTA-L] LDAU calculation run with problem

OK. Now I admit that this is from another unknow reasion. /Zhang 2015-01-27 Guangping Zhang 发件人：ali lahmer 发送时间：2015-01-27 13:46 主题：Re: [SIESTA-L] LDAU calculation run with problem 收件人："siesta-l" 抄送： Dear Zhang thank you for your suggestions so to be clear, the calculation f

Re: [SIESTA-L] LDAU calculation run with problem

for optical calculation. >> This would most solve your problem. >> >> >> >> 原始邮件 >> 发件人：ali lahmer >> 时间：周一 1月26日 12:46 >> 收件人：siesta-l@uam.es >> 主题：[SIESTA-L] LDAU calculation run with problem >> >> >Dear s

Re: [SIESTA-L] LDAU calculation run with problem

worth to try is use use less cores to run this job, this also can reduce the memory consuming. Hope this helps. /Zhang 2015-01-27 Guangping Zhang 发件人：ali lahmer 发送时间：2015-01-27 09:22 主题：Re: [SIESTA-L] LDAU calculation run with problem 收件人："siesta-l" 抄送： Dear Zhang thank you ver

Re: [SIESTA-L] LDAU calculation run with problem

cal 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 > 时间：周一 1月26日 12:46 > 收件人：siesta-l@uam.es > 主题：[SIESTA-L] LDAU calculation run with pro

Re: [SIESTA-L] LDAU calculation run with problem

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 时间：周一 1月26日 12:46 收件人：siesta-l@uam.es 主题：[SIESTA-L] LDAU calculation run with

[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 3x3x