Thank you Sir, for your kind help. On 8 February 2018 at 10:51, Nick Papior <nickpap...@gmail.com> wrote:
> Dear Sunetra, > > You can try and set this variable: > > NaiveAuxiliaryCell true > > and sometimes this may help as well: > FixAuxiliaryCell true > > 2018-02-07 10:16 GMT+01:00 Sunetra Das <sunetra.das...@gmail.com>: > >> Dear SIESTA users, >> >> I have a 2D supercell of 32 atoms which structure I have relaxed. Then I >> wanted to calculate the optical and magnetic properties of this relaxed >> structure. >> In the output file I a getting the following warning, which I do not know >> how to solve: >> >> >> >> >> >> >> >> >> >> *Naive supercell factors: 2 2 2Auxiliary supercell needs to be >> larger than naive one...Auxiliary supercell needs to be larger than naive >> one...superc: Internal auxiliary supercell: 3 x 2 x 2 = >> 12superc: Number of atoms, orbitals, and projectors: 384 5040 >> 5424Auxiliary supercell needs to be larger than naive one...Auxiliary >> supercell needs to be larger than naive one...* >> Can somebody please help me in this regard as to Which options to modify >> so that this is solved? >> >> Thank You. >> Regards, >> Sunetra Das. >> >> > > > -- > Kind regards Nick >
