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Author
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student
Yi Wang
3
948
2015/11/14 16:05
by Yi Wang
parallel running error
duan
2
3840
2015/11/08 18:38
by marcindulak
openmx-3.7.10 incompatible with elpa-2015.02.002
marcindulak
0
1032
2015/11/07 22:03
by marcindulak
magnetic property of zigzag MoS2 nanoribbon
Will
7
1196
2015/11/07 00:35
by Artem Pulkin
Semi-local PP
Nikolai
0
874
2015/11/05 20:23
by Nikolai
Sign of force difference between *.out and *.md
sung mo Kang
0
951
2015/11/05 15:00
by sung mo Kang
Is an output wave function Bloch?
M. Yamada
3
1173
2015/10/18 00:35
by M. Yamada
NEGF convergence
Artem Pulkin
0
1057
2015/10/02 18:28
by Artem Pulkin
View details for molecular dynamics
Vasiliy St
0
896
2015/09/28 15:19
by Vasiliy St
Difficult to get converge in spin polarized NEGF calculation
Pang
0
1042
2015/09/17 01:54
by Pang
Crystal Relaxation under Pressure
Khalid
0
1078
2015/08/23 00:06
by Khalid
Keep getting errors for NEGF calculation - Leads setting and warning of energy steps
Kuan Zhou
2
1361
2015/08/21 15:57
by Qurat
Any way to specify the energy range of LCAO coefficient output?
Seungjin Kang
1
1013
2015/08/14 18:38
by Artem Pulkin
number of bands and number of k-points
khalid
2
1132
2015/08/08 23:36
by Khalid
NEGF in Graphene
Khalid
2
1275
2015/08/08 23:34
by Khalid
LCAO coefficients
Eike F. Schwier
6
5422
2015/08/07 12:41
by T. Ozaki
Order N methods for NEGF calculation
KZ
1
1102
2015/08/06 11:28
by T. Ozaki
Problem with NEB restart and with specifying path
Mauro Sgroi
1
1200
2015/08/06 10:40
by T. Ozaki
Keep getting Segmentation fault for large NEGF calculations
KZ
1
1056
2015/08/06 10:36
by T. Ozaki
Molecular dynamics for charged paricles of ionic electrolytes
A. Chow
1
2401
2015/08/06 10:28
by T. Ozaki
Geometry optimization using Krylov subspace method
LK
1
1010
2015/08/06 10:18
by T. Ozaki
Bulk transport system
Khalid
4
4362
2015/07/07 02:51
by Khalid
Some questions about transport
khalid
2
1267
2015/06/24 17:05
by khalid
O(N) Calculations for Cases with Spin Orbit Coupling
KZ
5
3012
2015/06/24 10:33
by KZ
*.sden.cube
Riemann
2
1061
2015/06/16 17:06
by Riemann
Regarding error in results of NEGF calculation
KZ
4
1363
2015/06/14 13:32
by KZ
TranMain
boshra
1
2715
2015/06/13 19:06
by Riemann
Diagonal terms in overlap matrix not equalled to 1
KZ
10
1427
2015/06/12 19:15
by Artem Pulkin
PAV in Openmx?
Giovanni
1
1302
2015/06/09 23:32
by Artem Pulkin
How to generate a mixed pseudopotential
PR
3
4652
2015/06/09 17:32
by T. Ozaki
Unfolding band structure
Eike F. Schwier
2
1458
2015/06/09 12:05
by Eike F. Schwier
Charge density in .dden.cube
Artem Pulkin
1
1052
2015/06/08 15:04
by T. Ozaki
Possible bug in restart file reading
Aaron Thong
1
955
2015/06/04 18:11
by T. Ozaki
Electrostatic Potential
Giovanni
2
995
2015/05/26 21:33
by Giovanni
problem of instalation
youna
2
1284
2015/05/24 06:36
by youna
Exchange parameter
Rakesh Kar
0
1109
2015/04/29 21:37
by Rakesh Kar
Band Dispersion Problem
Khalid Ibne Masood
3
1107
2015/04/25 22:45
by PR
Question about PAO cut radii and size of unit cells in NEGF calculation
kzhoulatte
10
2026
2015/04/14 04:31
by kzhoulatte
restart file error on EvsLC calculation.
Seungjin
2
1440
2015/04/08 21:29
by Seungjin
Confusion about the index in HS.fileout Hamiltonian
kzhoulatte
7
1288
2015/04/08 05:26
by kzhoulatte
orbital coefficient
ZT
3
1084
2015/04/07 09:28
by T. Ozaki
-Dnosse option and Krylov
Lee, Sungjin
2
991
2015/04/06 20:22
by Lee, Sungjin
real space hopping integral
Riemann
1
1288
2015/04/06 18:39
by T. Ozaki
Exracting Tight binding parameters from MLWF calculation
Riemann
0
4317
2015/04/05 03:57
by Riemann
scf convergence issues in NEGF calculations
Aaron Thong
6
1758
2015/03/31 21:48
by Artem Pulkin
how to fix Unit cell angle
Jai Prakash
1
1072
2015/03/31 21:11
by Aaron Thong
Notes on Compilation of OpenMX
T. Ozaki
0
1114
2015/03/31 11:49
by T. Ozaki
For the K points setting using Monkhorst-Pack method, can I force the k points to include Gamma?
Kuan Zhou
3
6425
2015/03/30 17:47
by Artem Pulkin
For band calculation of MoS2, I found band edges are correct, but not for the higher bands.
Kuan Zhou
4
1764
2015/03/30 05:03
by Kuan Zhou
Optimization NOT converged when calculation wannier function
huei chen
0
1697
2015/03/26 17:28
by huei chen
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