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
