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List of Threads Topics Author Replies Views Last Modified optimization of the volume Sajad Ahmad 0 1188 2012/01/02 20:52 by Sajad Ahmad problen in make ali 1 1715 2011/12/30 02:57 by Reda BOUFATAH [openmx 3.6] DFT_DATA_PATH is undeclared in check_lead.c Reda Boufatah 0 973 2011/12/18 04:06 by Reda Boufatah Format for "MD.Fixed.XYZ" in openmx3.5 Zhe 1 1323 2011/12/17 19:45 by T.Ozaki how to set CC and LIB to compile openmx 3.6? Sajad Ahmad 0 1141 2011/11/21 19:01 by Sajad Ahmad how to create a nano system input file? ajaz 0 1101 2011/11/19 15:05 by ajaz openmx3.4 installation problem Daniel 3 2181 2011/11/19 12:32 by Dr. Amar Bahadur variable cell relaxation in OpenMX Jess 1 1523 2011/11/18 18:43 by T.Ozaki How to calculate Bulk Modulus using this code Sajad Ahmad 4 1833 2011/11/16 20:34 by Sajad Ahmad convergence problems with OpenMX 3.6 Denis Music 13 7080 2011/11/16 14:42 by T.Ozaki Problem with Band structure Dimpy Sharma 4 1624 2011/11/15 02:52 by Dimpy Sharma OpenMX ver.3.6 compilation with -Dnompi N.Kolchenko 3 3102 2011/11/14 17:26 by T.Ozaki Definition of Orbitals in version 3.6 Hadi Arefi 1 939 2011/11/14 17:19 by T.Ozaki patch3.6.1 to OpenMX Ver. 3.6 T.Ozaki 0 2987 2011/11/14 17:07 by T.Ozaki Postprocessing - "Analysis of ..." N.Kolchenko 2 1505 2011/11/13 02:26 by N.Kolchenko Ab initio determination of Hubbard parameter U Mauro Sgroi 2 1418 2011/11/12 05:48 by Mauro Sgroi Ghost orbital Hadi Arefi 1 2112 2011/11/11 22:21 by T.Ozaki New version of OpenMx Dimpy Sharma 1 1398 2011/11/11 22:16 by T.Ozaki PAO and VPS Rakesh Kar 1 1373 2011/11/11 22:09 by T.Ozaki The conventions for real spherical harmonics in OpenMX H. 3 2550 2011/11/11 21:55 by T.Ozaki Release of OpenMX Ver. 3.6 T.Ozaki 0 1078 2011/11/10 17:31 by T.Ozaki scf convergence problem j 2 2734 2011/11/03 07:46 by jhlee Better convergence for larger number of processors in case non-collinear calculations with SOC Johannes Voss 1 1388 2011/10/27 17:40 by N.Kolchenko Strange Mulliken Populations using new PAO in NEGF Sarah Jones 2 2365 2011/10/18 17:47 by Sarah Jones "oddity" with odd number of states N.Kolchenko 2 3269 2011/10/12 20:27 by N.Kolchenko EvsLC MD.Type? Reda BOUFATAH 1 1197 2011/10/12 17:02 by T.Ozaki Transport including spin-orbit interaction Ernesto O. Wrasse 1 1131 2011/10/10 02:26 by Jiwon ADPACK Ver. 2.2, Database 2011, and patch for OpenMX Ver. 3.5 T.Ozaki 5 1921 2011/10/01 07:02 by N.Kolchenko Segfaults during memory accesses in Band_DFT_Col.c Renato Miceli 11 6433 2011/10/01 00:45 by Renato Miceli Problem in Orbital optimisation Dimpy Sharma 1 1359 2011/09/29 21:01 by T.Ozaki about nanoscale cluster motif sanjeev singh 1 1539 2011/09/26 21:42 by N.Kolchenko AO and PAO Julio Aguiar 2 1466 2011/09/07 07:06 by Julio Aguiar bandgnu13.c compilation error sanjeev 1 1310 2011/09/07 00:54 by T.Ozaki problems in band dispersion wsajad 3 1397 2011/09/03 16:44 by Sajad Ahmad Array index out of bounds causes segfault in TRAN_Set_CentOverlap.c Renato Miceli 2 2258 2011/09/02 04:33 by Renato Miceli Inlen ComposerXE (ver. 12) : optimazation error A. M. Ito 1 2973 2011/08/30 15:08 by T.Ozaki The patch (Ver.3.5.2) of OpenMX Ver. 3.5 T.Ozaki 0 1107 2011/08/30 15:06 by T.Ozaki vps calculated by LDA wsajad 2 1187 2011/08/28 17:36 by wsajad Fermi level is not at the middle of the gap Dinh Loc Duong 4 8148 2011/08/26 17:43 by T.Ozaki Enquiry with Band structure Dimpy Sharma 1 1660 2011/08/26 17:28 by T.Ozaki Question about GGA+U rocdawn 2 2686 2011/08/23 15:10 by wsajad Atoms.UnitVectors.Unit wsajad 1 1360 2011/08/22 03:34 by mahyar constant magnetism Gabriel Greene 3 2144 2011/08/22 03:29 by mahyar slow convergence of small clusters sanjeev 2 1682 2011/08/11 03:15 by N.Kolchenko problem in band dispersion wsajad 0 1028 2011/08/08 21:06 by wsajad where to set gamma poin in the input file? wsajad 0 1083 2011/08/06 15:08 by wsajad Long directory path for argument DATA.PATH in the input file causes OpenMX to segfault Renato Miceli 1 1506 2011/08/05 01:47 by T.Ozaki Spherical Bessel Transform Julio Aguiar 1 1420 2011/08/02 00:14 by T.Ozaki out-put vizualisation sanjeev 1 1410 2011/07/30 00:42 by T.Ozaki Utotal is positive and high enough wsajad 1 1580 2011/07/30 00:37 by T.Ozaki

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