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
