No, currently LDA+U is only in the trunk series. 2016-06-28 10:49 GMT+02:00 Anju Saroha <anju....@gmail.com>:
> Dear Nick, > > That's true. Still may I know whether U is there in any series? > > > Thanks > > On Tue, Jun 28, 2016 at 2:13 PM, Nick Papior <nickpap...@gmail.com> wrote: > >> Please, remark that the trunk version is a development version and it >> should be treated as such. :) >> >> 2016-06-28 10:33 GMT+02:00 Anju Saroha <anju....@gmail.com>: >> >>> Dear Nick, >>> >>> I have understood it. Now only I have checked. Thanks a lot. >>> >>> >>> >>> On Tue, Jun 28, 2016 at 1:59 PM, Nick Papior <nickpap...@gmail.com> >>> wrote: >>> >>>> Please follow this site for the trunk version >>>> https://launchpad.net/siesta >>>> Currently, 526 is the latest version. >>>> >>>> 2016-06-28 10:24 GMT+02:00 Anju Saroha <anju....@gmail.com>: >>>> >>>>> Dear Nick, >>>>> >>>>> In my knowledge, siesta-trunk-515 is the latest version. Is there any >>>>> version latest than this? >>>>> >>>>> Thanks and regards >>>>> >>>>> On Tue, Jun 28, 2016 at 12:26 PM, Nick Papior <nickpap...@gmail.com> >>>>> wrote: >>>>> >>>>>> Could you please try the latest trunk version, there have been >>>>>> certain fixes for the LDA+U implementation. >>>>>> >>>>>> If siesta still exhibits an error, please follow the steps explained >>>>>> here: >>>>>> https://answers.launchpad.net/siesta/+faq/2779 >>>>>> >>>>>> >>>>>> 2016-06-27 21:18 GMT+02:00 Anju Saroha <anju....@gmail.com>: >>>>>> >>>>>>> Dear siesta users, >>>>>>> >>>>>>> I have installed siesta-trunk-515 using intel-check make file in >>>>>>> Src/Sys. >>>>>>> *It is running without any error when I am not using U (Hubbard >>>>>>> parameter) but the moment I am giving the U parameter, it's aborting >>>>>>> with >>>>>>> an error shown below. * >>>>>>> Can someone please help me in resolving the issue? I have tried all >>>>>>> possible ways I knew but I am not having any further clue. >>>>>>> >>>>>>> >>>>>>> >>>>>>> >>>>>>> >>>>>>> >>>>>>> >>>>>>> >>>>>>> >>>>>>> >>>>>>> >>>>>>> >>>>>>> >>>>>>> >>>>>>> >>>>>>> >>>>>>> >>>>>>> >>>>>>> >>>>>>> >>>>>>> >>>>>>> >>>>>>> >>>>>>> >>>>>>> >>>>>>> >>>>>>> >>>>>>> >>>>>>> >>>>>>> >>>>>>> >>>>>>> >>>>>>> >>>>>>> >>>>>>> *POLgen: Perturbative polarization orbital with L= 1POLgen: >>>>>>> Polarization orbital for state 4s izeta = 1 rc = >>>>>>> 4.912997 energy = 0.139983 kinetic = >>>>>>> 0.923750 potential(screened) = -0.783767 potential(ionic) = >>>>>>> -6.360530atom: Total number of Sankey-type orbitals: 15atm_pop: Valence >>>>>>> configuration (for local Pseudopot. screening): 4s( >>>>>>> 2.00) 4p( >>>>>>> 0.00) 3d( >>>>>>> 6.00) Vna: >>>>>>> chval, zval: 8.00000 8.00000Vna: Cut-off radius for the >>>>>>> neutral-atom >>>>>>> potential: 4.912997atom: >>>>>>> _________________________________________________________________________ldau_proj_gen: >>>>>>> PAO cut-off radius determined from anldau_proj_gen: energy shift = >>>>>>> 0.050000 Ryldau_proj_gen: rco = 3.060618 Bohrforrtl: error (65): >>>>>>> floating >>>>>>> invalidImage PC Routine >>>>>>> Line Source siesta >>>>>>> 00000000006C2897 Unknown Unknown >>>>>>> Unknownsiesta 00000000004CC843 Unknown >>>>>>> Unknown Unknownsiesta 00000000005B4514 >>>>>>> Unknown Unknown Unknownsiesta >>>>>>> 0000000000DEFF27 Unknown Unknown >>>>>>> Unknownsiesta 000000000040411C Unknown >>>>>>> Unknown Unknownlibc.so.6 00007F0CDA0B7C36 >>>>>>> Unknown Unknown Unknownsiesta >>>>>>> 0000000000404019 Unknown Unknown Unknown* >>>>>>> >>>>>>> >>>>>>> Here I am *attaching the arch.make file*. >>>>>>> >>>>>>> I am looking forward for a help. Thanks in advance. >>>>>>> >>>>>>> Regards >>>>>>> >>>>>>> -- >>>>>>> Anju Saroha >>>>>>> Research Scholar >>>>>>> Department of Physics >>>>>>> IIT Madras >>>>>>> Chennai-600036 >>>>>>> India. >>>>>>> >>>>>>> >>>>>>> >>>>>> >>>>>> >>>>>> -- >>>>>> Kind regards Nick >>>>>> >>>>> >>>>> >>>>> >>>>> -- >>>>> Anju Saroha >>>>> Research Scholar >>>>> Prof. M. S. Ramachandra Rao and >>>>> Dr. B. Ranjit Kumar Nanda's group >>>>> Department of Physics >>>>> IIT Madras >>>>> Chennai-600036 >>>>> >>>>> >>>>> >>>> >>>> >>>> -- >>>> Kind regards Nick >>>> >>> >>> >>> >>> -- >>> Anju Saroha >>> Research Scholar >>> Prof. M. S. Ramachandra Rao and >>> Dr. B. Ranjit Kumar Nanda's group >>> Department of Physics >>> IIT Madras >>> Chennai-600036 >>> >>> >>> >> >> >> -- >> Kind regards Nick >> > > > > -- > Anju Saroha > Research Scholar > Prof. M. S. Ramachandra Rao and > Dr. B. Ranjit Kumar Nanda's group > Department of Physics > IIT Madras > Chennai-600036 > > > -- Kind regards Nick
