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Last Modified
patches for gcc-4.8.3/4.9.1
marcindulak
1
1167
2014/10/27 22:30
by T. Ozaki
Optimized norm-conserving Vanderbilt pseudopotentials
chrinide
1
1794
2014/10/27 22:26
by T. Ozaki
localised and itinerant electron specification
Tamal Goswami
1
2133
2014/10/27 22:18
by T. Ozaki
Compile Error
Hossein
1
4022
2014/09/25 18:43
by Artem Pulkin
Transport Properties in Charged Compounds
Leone
2
1337
2014/09/16 01:21
by Leone
problem with graphene
Nehmat
1
1885
2014/09/15 22:33
by Artem Pulkin
Segmentation fault : NEGF step.1 The calculations for leads
Lee
1
2074
2014/09/15 22:01
by Artem Pulkin
installation problem
Khalid
8
19829
2014/09/10 11:14
by T.V.T. Duy
lapack subroutines for diagonization
John Chan
1
1027
2014/08/29 18:36
by Artem
One more NEGF issue
Artem
13
3712
2014/08/25 21:03
by Artem
Dipole correction for slab calculation
Sung Beom Cho
5
4906
2014/08/21 16:51
by T. Ozaki
FFT of atomic orbitals
M. Chen
1
1154
2014/08/20 09:25
by T. Ozaki
One more question about NEGF performance
Artem
1
1911
2014/08/18 18:17
by Artem
bandstructure of GaAs
Zahra
1
3434
2014/08/11 17:13
by T. Ozaki
ADPACK calculations for ions etc.
M. O.
1
1351
2014/08/11 17:09
by T. Ozaki
Gold nanowire NEGF simulation no convergence
Hassan
3
4290
2014/08/09 05:43
by Hassan Farooq
MPSH enabled OPENMX
Jaber Jahanbin
0
1792
2014/06/22 22:48
by Jaber Jahanbin
Bi2Te3 topological insulator
Artem
3
6037
2014/06/21 10:11
by T. Ozaki
small residule charges after SCF is completed
Chen
6
1730
2014/06/16 15:24
by T. Ozaki
NEGF Convergence problem in Magnetic junction
Umar
3
2885
2014/06/10 18:36
by Artem
NEGF Convergence problem
Umar
0
3457
2014/06/05 17:59
by Umar
molecular-projected self-consistent Hamiltonian (MPSH)
David Sharpe
2
4302
2014/06/02 17:47
by Sharpe & Afshari
Spin Polarization NEGF Calculation
Umar
12
5089
2014/05/30 23:48
by Umar
Present wf in real space
Artem Pulkin
6
3458
2014/05/29 21:31
by T. Ozaki
MPI error in cluster SCF eigenvaluesolver (OpenMX3.7)
Jae Nyeong Kim
1
1887
2014/05/27 23:50
by Artem
Bug in MIN/MAX macros causing incorrect results
Åke Sandgren
1
1486
2014/05/23 22:28
by T. Ozaki
Piloting over-all transmission of the system
Umar
1
2951
2014/05/23 21:17
by Artem
EvsLC
David G.
1
1397
2014/05/20 16:32
by T. Ozaki
stop without scf convergence and ESM problems
chi
1
5135
2014/05/20 16:23
by T. Ozaki
explanation of transmission
khan
1
1833
2014/05/16 18:50
by Artem
Question about vector unity cell in Au(1 1 1) surface
Leone
5
3760
2014/05/12 22:17
by Artem
OpenMX program automatically exit
chow
0
3382
2014/05/12 12:01
by chow
Files *.bulk.xyz
Leone
2
2556
2014/05/03 01:33
by Leone
MPSH
Afshari
0
26115
2014/04/24 05:00
by Afshari
Relaxation of MoS2
Artem
9
8444
2014/04/16 08:52
by T. Ozaki
Vacuum level
Alfonso Sanchez
3
9924
2014/04/16 06:28
by Alfonso Sanchez
problem with calculation of forces
Andrzej Lusakowski
1
5863
2014/04/14 15:33
by T. Ozaki
non-collinear DFT: problem in fixing spin orientation
Tamal Goswami
3
2238
2014/04/14 15:29
by T. Ozaki
Problem in making DosMain file
DUONG Dinh Hiep
1
2238
2014/04/14 15:27
by T. Ozaki
Installation problem of openmx3.7 on fedora core 19
Md. Mehboob Alam
1
1410
2014/04/10 02:16
by Masoud
==
Artem Pulkin
3
6039
2014/03/17 17:14
by T. Ozaki
Problem about Graphene
wdaobin
1
1859
2014/03/17 17:06
by T. Ozaki
pseudopotential and atomic basis
dai
1
5924
2014/03/17 16:51
by T. Ozaki
Visualization of OpenMX data
Denis Music
1
1949
2014/03/17 16:48
by T. Ozaki
Change the number of data point in Density of States calculation
DUONG Dinh Hiep
1
1633
2014/03/17 16:36
by T. Ozaki
Optimised ZnO (1010) nonpolar surface
Moh. Adhib Ulil Abso
3
2825
2014/02/20 12:13
by Moh Adhib Ulil Abso
Patch 3.7.8 to OpenMX Ver. 3.7
T. Ozaki
0
2177
2014/02/17 12:16
by T. Ozaki
Current in *.current file from NEGF
J
1
1868
2014/02/07 15:35
by T. Ozaki
Running openMX on Cray XC30
Yu Xie
2
1853
2014/02/07 04:43
by Yu Xie
unit of cube file
J
3
3502
2014/01/31 23:32
by J
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