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Last Modified
First Installation Error of Openmx-3.8
Riemann
2
1442
2016/04/05 05:49
by Riemann
Strangely Small Spin Moment in Material with Strong SOC
Keenan
1
1106
2016/04/03 20:15
by T. Ozaki
Polarization by Berry's phase
Guilherme Maia
2
1166
2016/03/29 02:19
by Guilherme Maia
How to unify optimized PAO files?
Yi Wang
2
1124
2016/03/15 16:16
by Yi Wang
Convergence problem for NEGF self consistent loop of Fe/MgO/Fe system
Hiroshi Tsukahara
2
1636
2016/03/15 13:56
by T.Ozaki
how to know about stable structure
sanjeev
1
1135
2016/03/15 13:35
by T.Ozaki
Young’s modulus
smart
1
1056
2016/03/15 13:28
by T.Ozaki
Transport calculation not converging
Samuel
2
1290
2016/03/10 18:56
by Artem Pulkin
OpenMx's Method of Avoiding Local Trap of Spin Configuration
Jong Hyun Jung
1
1165
2016/02/17 16:27
by Jong Hyun Jung
K-dependent Eigenstate
Riemann
2
1184
2016/02/12 01:55
by Riemann
Calculating PDOS
Seungjin Kang
1
1155
2016/02/05 19:50
by Artem Pulkin
Quantization axis for Wannier function?
Seungjin Kang
1
979
2016/01/18 20:51
by Artem Pulkin
error installation openMx version 3.6
Moh. Adhib Ulil Abso
0
1460
2015/12/18 12:57
by Moh. Adhib Ulil Abso
How to calculate scf of BaTiO3 ?
Dr.Luo
2
1337
2015/12/18 00:37
by Bingcheng Luo
Can OpenMX do geometry and lattice optimization simultaneously?
Yang Jin-Hoon
2
1485
2015/12/10 21:27
by Yang Jin-Hoon
NEGF and band gap
derek
1
1144
2015/12/09 21:26
by Artem Pulkin
The LEFT lead cannot be superposed on the original cell even after the translation. Check your atomi
Richard Overstreet
3
1429
2015/12/09 21:03
by Artem Pulkin
runtestL Problem
Takeshi Mizuno
0
1028
2015/12/07 18:24
by Takeshi Mizuno
Berry curvature
zl
0
1169
2015/12/07 12:55
by zl
Berry curvature and anomalous Hall conductivity
L. Zhu
0
1020
2015/12/06 19:17
by L. Zhu
gnuplot produces no plot
Barati
1
1063
2015/11/29 20:44
by duan
magnetic field calculation
hui fu
2
1456
2015/11/24 20:58
by Eike F. Schwier
mpirun error
Barati
0
1121
2015/11/23 03:16
by Barati
bandgnu13.c compilation error (2)
Barati
0
965
2015/11/22 04:12
by Barati
openmx3.7 installation error
Haider Abbas
5
3002
2015/11/22 00:08
by Barati
executing error, band dispersion problem
Barati
6
1279
2015/11/14 19:17
by Barati
student
Yi Wang
3
1142
2015/11/14 16:05
by Yi Wang
parallel running error
duan
2
4024
2015/11/08 18:38
by marcindulak
openmx-3.7.10 incompatible with elpa-2015.02.002
marcindulak
0
1257
2015/11/07 22:03
by marcindulak
magnetic property of zigzag MoS2 nanoribbon
Will
7
1421
2015/11/07 00:35
by Artem Pulkin
Semi-local PP
Nikolai
0
1044
2015/11/05 20:23
by Nikolai
Sign of force difference between *.out and *.md
sung mo Kang
0
1125
2015/11/05 15:00
by sung mo Kang
Is an output wave function Bloch?
M. Yamada
3
1397
2015/10/18 00:35
by M. Yamada
NEGF convergence
Artem Pulkin
0
1248
2015/10/02 18:28
by Artem Pulkin
View details for molecular dynamics
Vasiliy St
0
1081
2015/09/28 15:19
by Vasiliy St
Difficult to get converge in spin polarized NEGF calculation
Pang
0
1232
2015/09/17 01:54
by Pang
Crystal Relaxation under Pressure
Khalid
0
1256
2015/08/23 00:06
by Khalid
Keep getting errors for NEGF calculation - Leads setting and warning of energy steps
Kuan Zhou
2
1556
2015/08/21 15:57
by Qurat
Any way to specify the energy range of LCAO coefficient output?
Seungjin Kang
1
1196
2015/08/14 18:38
by Artem Pulkin
number of bands and number of k-points
khalid
2
1363
2015/08/08 23:36
by Khalid
NEGF in Graphene
Khalid
2
1458
2015/08/08 23:34
by Khalid
LCAO coefficients
Eike F. Schwier
6
5789
2015/08/07 12:41
by T. Ozaki
Order N methods for NEGF calculation
KZ
1
1278
2015/08/06 11:28
by T. Ozaki
Problem with NEB restart and with specifying path
Mauro Sgroi
1
1398
2015/08/06 10:40
by T. Ozaki
Keep getting Segmentation fault for large NEGF calculations
KZ
1
1239
2015/08/06 10:36
by T. Ozaki
Molecular dynamics for charged paricles of ionic electrolytes
A. Chow
1
2581
2015/08/06 10:28
by T. Ozaki
Geometry optimization using Krylov subspace method
LK
1
1197
2015/08/06 10:18
by T. Ozaki
Bulk transport system
Khalid
4
4581
2015/07/07 02:51
by Khalid
Some questions about transport
khalid
2
1438
2015/06/24 17:05
by khalid
O(N) Calculations for Cases with Spin Orbit Coupling
KZ
5
3296
2015/06/24 10:33
by KZ
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