Thanks a lot Nick.
On Tue, Jun 28, 2016 at 2:28 PM, Nick Papior <nickpap...@gmail.com> wrote: > 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 > -- Anju Saroha Research Scholar Prof. M. S. Ramachandra Rao and Dr. B. Ranjit Kumar Nanda's group Department of Physics IIT Madras Chennai-600036
