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List of Threads Topics Author Replies Views Last Modified Total energy in NEGF Artem Pulkin 6 529 2015/01/29 18:56 by Artem Pulkin Transmisson through silicene Vahid 0 736 2015/01/22 20:23 by Vahid MLWF obtained from OpenMX Guodong Yu 4 971 2015/01/22 11:10 by Guodong Yu Electrostatic potential between leads in NEGF transport calculations Konstantin Khromov 2 747 2015/01/20 19:45 by Konstantin Khromov gcc error William 1 843 2014/12/15 14:27 by T.V.T. Duy problem about example Gly_NH.dat Wang Yuanqing 2 770 2014/12/12 10:46 by Yuanqing Wang The 3rd OpenMX/QMAS workshop T. Ozaki 0 913 2014/12/11 23:56 by T. Ozaki mismatched energy values on same symmetry points Kuraya 3 761 2014/12/11 22:12 by T. Ozaki no error no run! masoud 1 660 2014/12/11 01:24 by Artem Pulkin md calculation error Wang Yuanqing 1 817 2014/12/10 19:09 by Artem Pulkin PAO and VPS for Carbon Konstantin Khromov 2 897 2014/11/27 06:26 by T. Ozaki Doctor Konstantin Khromov 1 732 2014/11/26 20:29 by Konstantin Khromov INput file for Bi2Se3 ANANT 1 887 2014/11/24 20:12 by Artem Pulkin Writing the code for (1,1,1) surface for any crystal ANANT 1 684 2014/11/23 08:29 by T. Ozaki Question about non-collinear MLWF calculation Limillas 1 1060 2014/11/23 08:26 by T. Ozaki VPS and PAO for Terbium M. M. Anas 2 817 2014/11/21 19:05 by M. M. Anas NEGF and insulators Artem Pulkin 1 845 2014/11/21 00:09 by T. Ozaki Fe spin numbers Sepideh 2 817 2014/11/15 02:12 by sepideh discrepancies results between openmx-siesta-vasp on slab calculation without vdw Duverger Eric 2 1305 2014/11/14 06:30 by Duverger I had some error when I tried to install openMX Wang Yuanqing 2 1043 2014/11/12 15:01 by Yuanqing Wang Transmission Through Silicene Vahid 1 1047 2014/11/03 19:12 by Artem Pulkin Installing Openmx with Ifort and Icc Vahid 2 1642 2014/10/31 22:23 by Vahid including hybrid functional Mosahhar 0 907 2014/10/28 16:17 by Mosahhar DFT-D2 Julieth 2 1234 2014/10/28 04:59 by Julieth problem with band interpolation using HS.out M. Chen 1 2172 2014/10/27 22:48 by T. Ozaki O(N) method in Openmx Chen 1 1321 2014/10/27 22:41 by T. Ozaki patches for gcc-4.8.3/4.9.1 marcindulak 1 951 2014/10/27 22:30 by T. Ozaki Optimized norm-conserving Vanderbilt pseudopotentials chrinide 1 1595 2014/10/27 22:26 by T. Ozaki localised and itinerant electron specification Tamal Goswami 1 1985 2014/10/27 22:18 by T. Ozaki Compile Error Hossein 1 3314 2014/09/25 18:43 by Artem Pulkin Transport Properties in Charged Compounds Leone 2 1193 2014/09/16 01:21 by Leone problem with graphene Nehmat 1 1600 2014/09/15 22:33 by Artem Pulkin Segmentation fault : NEGF step.1 The calculations for leads Lee 1 1918 2014/09/15 22:01 by Artem Pulkin installation problem Khalid 8 19269 2014/09/10 11:14 by T.V.T. Duy lapack subroutines for diagonization John Chan 1 878 2014/08/29 18:36 by Artem One more NEGF issue Artem 13 3455 2014/08/25 21:03 by Artem Dipole correction for slab calculation Sung Beom Cho 5 4163 2014/08/21 16:51 by T. Ozaki FFT of atomic orbitals M. Chen 1 978 2014/08/20 09:25 by T. Ozaki One more question about NEGF performance Artem 1 1730 2014/08/18 18:17 by Artem bandstructure of GaAs Zahra 1 3252 2014/08/11 17:13 by T. Ozaki ADPACK calculations for ions etc. M. O. 1 1186 2014/08/11 17:09 by T. Ozaki Gold nanowire NEGF simulation no convergence Hassan 3 4081 2014/08/09 05:43 by Hassan Farooq MPSH enabled OPENMX Jaber Jahanbin 0 1649 2014/06/22 22:48 by Jaber Jahanbin Bi2Te3 topological insulator Artem 3 5090 2014/06/21 10:11 by T. Ozaki small residule charges after SCF is completed Chen 6 1520 2014/06/16 15:24 by T. Ozaki NEGF Convergence problem in Magnetic junction Umar 3 2660 2014/06/10 18:36 by Artem NEGF Convergence problem Umar 0 3241 2014/06/05 17:59 by Umar molecular-projected self-consistent Hamiltonian (MPSH) David Sharpe 2 4027 2014/06/02 17:47 by Sharpe & Afshari Spin Polarization NEGF Calculation Umar 12 4740 2014/05/30 23:48 by Umar Present wf in real space Artem Pulkin 6 3191 2014/05/29 21:31 by T. Ozaki

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