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Author
Replies
Views
Last Modified
Mismatch DOS with conductance profile
Devanand
2
496
2019/08/23 15:50
by Naoya Yamaguchi
How can we get the I-V curves with openmx
Ryoehi Nishioka
2
636
2019/08/22 16:17
by Ryoehi Nishioka
How to normalize charge density calculated from HOMO-LUMO
Eike F. Schwier
7
1046
2019/08/21 20:07
by Eike F. Schwier
Very high noise and stoping calculation
Douglas
0
450
2019/08/16 21:51
by Douglas
convergence problem (the last thread can not display correctly)
Bin Shao
3
690
2019/08/07 14:22
by Naoya Yamaguchi
convergence problem
Bin Shao
0
497
2019/07/25 17:09
by Bin Shao
inconsistent magnetic solutions of bcc Fe
Bin Shao
2
554
2019/07/24 17:51
by Bin Shao
NEB Optimization
Reza
1
494
2019/07/23 17:31
by Naoya Yamaguchi
Questions about the magnetic moment in NEGF calculations
H Y ZHOU
0
571
2019/07/17 21:46
by H Y ZHOU
Negative charge on Al in Al-doped AGNR
Lovleen Kaur
1
628
2019/07/14 02:31
by Yung-Ting Lee
NEB Question
Reza
0
550
2019/07/05 00:31
by Reza
charge density
Alisa
2
627
2019/07/03 16:58
by Yung-Ting
The problem difference charge density
Alisa
6
736
2019/06/28 10:40
by Alisa
Elastic Constant of Cu - 6.0Hs3p3d3
C. Pashartis
2
659
2019/06/21 20:14
by C. Pashartis
NEB output file
Reza
0
476
2019/06/21 15:49
by Reza
Error in installation
M.S
3
1842
2019/06/15 06:44
by deniz
Hamiltonian matrix file
Maedeh
5
934
2019/06/08 05:12
by Maedeh
Questions about functionals
Aleksey
0
664
2019/06/06 20:57
by Aleksey
Some Suggestions about new version
Reza
1
741
2019/05/30 05:57
by Po-Hao Chang
Installation of OpenMX in IUAC cluster server
Vicky
14
754
2019/05/30 02:54
by Naoya Yamaguchi
Cell optimization with Krylov subspace method
Pavel Ondračka
0
531
2019/05/28 20:18
by Pavel Ondračka
GGA+U
reza
0
636
2019/05/23 18:45
by reza
convergence for ESM calculation with on4 in HfO2
Z Jiang
0
618
2019/05/18 06:40
by Z Jiang
Zeeman term in the OpenMx is not working!
Santu Baidya
3
650
2019/05/15 11:23
by Santu Baidya
Memory Consumption
Reza
3
570
2019/05/03 02:42
by Reza
SCFOUT Error - Hamiltonian incorrectly saved for MD.Type Opt
J. Chapman
11
854
2019/04/04 01:29
by J. Chapman
The problem of RF constrained optimization with patch 3.8.4 and 3.8.5
Alisa
4
677
2019/03/27 00:40
by Naoya Yamaguchi
installation error
Haider Abbas
5
842
2019/03/15 05:12
by Naoya Yamaguchi
Error occurs when NEB calculation runs with DFT-D3
Kunihiro Yananose
2
651
2019/03/05 13:57
by Kunihiro Yananose
Graphene Band Calculations
Lovleen Kaur
5
1663
2019/02/09 03:21
by Naoya Yamaguchi
How to apply periodic boundary conditions
sanjeev
4
1013
2019/02/08 23:03
by Kylin
JRCAT 244p and JAIST 2122p
J. Chapman
1
709
2019/01/29 19:15
by Naoya Yamaguchi
NEGF for a thin film
Sachin
0
669
2018/12/26 23:49
by Sachin
negf optimization
math
0
555
2018/12/26 18:25
by math
Anomalies in bandstructure of NdAlO3
Aleksey
1
725
2018/12/18 08:46
by Aleksey
Controlling SOC strength
jhong
6
1231
2018/11/27 15:09
by jhong
The output file is not updated
xuemei
0
525
2018/11/26 10:38
by xuemei
The problems of constrained optimization with EF
xm
4
795
2018/11/20 23:23
by xm
The problem about NEGF calculation
Weiqi Li
4
846
2018/11/08 17:03
by Weiqi Li
PAO question
Weiqi Li
1
713
2018/11/07 18:22
by Weiqi Li
projected direction in pdos
Maedeh
0
583
2018/10/18 02:20
by Maedeh
transition probability calculation for metal cluster (rare metal)
Manabu Inukai
2
689
2018/10/17 14:48
by Manabu Inukai
Electric field perpendicular to 2D materials
sabike
1
888
2018/10/13 00:54
by Po-Hao
convergence of optimization
sabike
2
999
2018/10/11 23:07
by sabike
How to calculate charge density and deformation charge density with openmx
xm
0
768
2018/10/11 09:17
by xm
compilation error: openmx 3.8
Renato
11
2394
2018/10/11 02:35
by Renato
planar-averaged electrostatic potential
Po-Hao
5
3572
2018/10/09 12:00
by Naoya Yamaguchi
Transport direction in 2D slab NEGF calculation
ZHOU Jiaqi
0
842
2018/09/28 14:59
by ZHOU Jiaqi
transport direction for thin film
Prashant
4
998
2018/09/14 12:57
by Prashant
Vacancy study with OpenMx
Samuel Dechamps
1
717
2018/09/13 13:00
by Naoya Yamaguchi
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