Re: [SIESTA-L] about the band structure calculation

2011-10-24 Por tôpico apostnik
> > Dear everyone, > I try to calculate the band structure of ta2o5, but it is too > time-consumption, so i doubt that the input file is something wrong, > please see in the attachment and help me check it.Thanks very much! > Bo Xiao Dear Bo Xiao: your sustem is big and periodic (lot of overlaps

[SIESTA-L] about the band structure calculation

2011-10-24 Por tôpico BoXiao
Dear everyone, I try to calculate the band structure of ta2o5, but it is too time-consumption, so i doubt that the input file is something wrong, please see in the attachment and help me check it.Thanks very much! Bo Xiao Ta2O5-band.fdf Description: a