OpenMX Forum
New Thread
|
Return Home
|
Mailing List
|
Points of Concern
|
Search
|
Past Log
|
Administration
List of Threads
Topics
Author
Replies
Views
Last Modified
patches for gcc-4.8.3/4.9.1
marcindulak
1
1373
2014/10/27 22:30
by T. Ozaki
Optimized norm-conserving Vanderbilt pseudopotentials
chrinide
1
1977
2014/10/27 22:26
by T. Ozaki
localised and itinerant electron specification
Tamal Goswami
1
2298
2014/10/27 22:18
by T. Ozaki
Compile Error
Hossein
1
4697
2014/09/25 18:43
by Artem Pulkin
Transport Properties in Charged Compounds
Leone
2
1484
2014/09/16 01:21
by Leone
problem with graphene
Nehmat
1
2099
2014/09/15 22:33
by Artem Pulkin
Segmentation fault : NEGF step.1 The calculations for leads
Lee
1
2238
2014/09/15 22:01
by Artem Pulkin
installation problem
Khalid
8
20258
2014/09/10 11:14
by T.V.T. Duy
lapack subroutines for diagonization
John Chan
1
1181
2014/08/29 18:36
by Artem
One more NEGF issue
Artem
13
3932
2014/08/25 21:03
by Artem
Dipole correction for slab calculation
Sung Beom Cho
5
5308
2014/08/21 16:51
by T. Ozaki
FFT of atomic orbitals
M. Chen
1
1301
2014/08/20 09:25
by T. Ozaki
One more question about NEGF performance
Artem
1
2056
2014/08/18 18:17
by Artem
bandstructure of GaAs
Zahra
1
3618
2014/08/11 17:13
by T. Ozaki
ADPACK calculations for ions etc.
M. O.
1
1526
2014/08/11 17:09
by T. Ozaki
Gold nanowire NEGF simulation no convergence
Hassan
3
4458
2014/08/09 05:43
by Hassan Farooq
MPSH enabled OPENMX
Jaber Jahanbin
0
1945
2014/06/22 22:48
by Jaber Jahanbin
Bi2Te3 topological insulator
Artem
3
6519
2014/06/21 10:11
by T. Ozaki
small residule charges after SCF is completed
Chen
6
1900
2014/06/16 15:24
by T. Ozaki
NEGF Convergence problem in Magnetic junction
Umar
3
3101
2014/06/10 18:36
by Artem
NEGF Convergence problem
Umar
0
3632
2014/06/05 17:59
by Umar
molecular-projected self-consistent Hamiltonian (MPSH)
David Sharpe
2
4486
2014/06/02 17:47
by Sharpe & Afshari
Spin Polarization NEGF Calculation
Umar
12
5368
2014/05/30 23:48
by Umar
Present wf in real space
Artem Pulkin
6
3648
2014/05/29 21:31
by T. Ozaki
MPI error in cluster SCF eigenvaluesolver (OpenMX3.7)
Jae Nyeong Kim
1
2048
2014/05/27 23:50
by Artem
Bug in MIN/MAX macros causing incorrect results
Åke Sandgren
1
1627
2014/05/23 22:28
by T. Ozaki
Piloting over-all transmission of the system
Umar
1
3102
2014/05/23 21:17
by Artem
EvsLC
David G.
1
1557
2014/05/20 16:32
by T. Ozaki
stop without scf convergence and ESM problems
chi
1
5337
2014/05/20 16:23
by T. Ozaki
explanation of transmission
khan
1
2003
2014/05/16 18:50
by Artem
Question about vector unity cell in Au(1 1 1) surface
Leone
5
3929
2014/05/12 22:17
by Artem
OpenMX program automatically exit
chow
0
3563
2014/05/12 12:01
by chow
Files *.bulk.xyz
Leone
2
2716
2014/05/03 01:33
by Leone
MPSH
Afshari
0
26277
2014/04/24 05:00
by Afshari
Relaxation of MoS2
Artem
9
9115
2014/04/16 08:52
by T. Ozaki
Vacuum level
Alfonso Sanchez
3
10137
2014/04/16 06:28
by Alfonso Sanchez
problem with calculation of forces
Andrzej Lusakowski
1
6036
2014/04/14 15:33
by T. Ozaki
non-collinear DFT: problem in fixing spin orientation
Tamal Goswami
3
2430
2014/04/14 15:29
by T. Ozaki
Problem in making DosMain file
DUONG Dinh Hiep
1
2443
2014/04/14 15:27
by T. Ozaki
Installation problem of openmx3.7 on fedora core 19
Md. Mehboob Alam
1
1592
2014/04/10 02:16
by Masoud
==
Artem Pulkin
3
6189
2014/03/17 17:14
by T. Ozaki
Problem about Graphene
wdaobin
1
2025
2014/03/17 17:06
by T. Ozaki
pseudopotential and atomic basis
dai
1
6071
2014/03/17 16:51
by T. Ozaki
Visualization of OpenMX data
Denis Music
1
2163
2014/03/17 16:48
by T. Ozaki
Change the number of data point in Density of States calculation
DUONG Dinh Hiep
1
1779
2014/03/17 16:36
by T. Ozaki
Optimised ZnO (1010) nonpolar surface
Moh. Adhib Ulil Abso
3
2995
2014/02/20 12:13
by Moh Adhib Ulil Abso
Patch 3.7.8 to OpenMX Ver. 3.7
T. Ozaki
0
2333
2014/02/17 12:16
by T. Ozaki
Current in *.current file from NEGF
J
1
2028
2014/02/07 15:35
by T. Ozaki
Running openMX on Cray XC30
Yu Xie
2
2013
2014/02/07 04:43
by Yu Xie
unit of cube file
J
3
3824
2014/01/31 23:32
by J
Page: [
1
] [
2
] [
3
] [
4
] [
5
] [
6
] [
7
] [
8
] [
9
] [
10
] [
11
] [
12
]
[13]
[
14
] [
15
] [
16
] [
17
] [
18
] [
19
] [
20
] [
21
] [
22
] [
23
] [
24
]
Open Thread
Locked Thread
Alarm(More than 180 replies)
Message from Administrator
-
Web Patio
-