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From Administrator
Taisuke Ozaki
0
6118
2005/01/09 05:33
by Taisuke Ozaki
Bug in OpenMX
Artem Pulkin
1
24
2021/01/14 21:23
by Artem Pulkin
Spi-orbit coupling
Artem Pulkin
0
28
2021/01/13 19:40
by Artem Pulkin
Negative charge Nd ions within DFT+U calculation
Aleksey
0
13
2021/01/13 08:22
by Aleksey
No rule to make target `Cluster_DFT.c', needed by `Cluster_DFT.o'. Stop.
Riemann Dearakhshan
1
34
2020/12/31 18:56
by Naoya Yamaguchi
STM Simulation doesn't work when solver is Cluster
Kelvin
1
46
2020/12/28 02:42
by Naoya Yamaguchi
How to analyze Orbital magnetic Moment
Chen Yaqing
0
41
2020/12/27 20:58
by Chen Yaqing
determination of Exchange coupling parameter
reza
4
137
2020/12/22 07:14
by reza
About euler angle
Liu Jie
0
49
2020/12/16 22:28
by Liu Jie
How to relate the sequence for the orbital to atomic orbitals
Riemann Dearakhshan
0
50
2020/12/16 03:05
by Riemann Dearakhshan
In the ACE Model:What are the criteria for setting the start values?
Zhenzhen Luo
1
43
2020/12/14 19:39
by Naoya Yamaguchi
Label d-orbitals in PDOS
Lovleen Kaur
3
68
2020/12/14 14:19
by Lovleen Kaur
Filename.dden.cube file
Riemann Dearakhshan
1
54
2020/12/14 13:40
by Naoya Yamaguchi
Parameter about Symmetry
Liu Jie
0
50
2020/12/14 11:45
by Liu Jie
scf.kgrid and scf.cutoff
yeganeh nasr
0
50
2020/12/13 18:53
by yeganeh nasr
Computing Z2 invariant for 1D graphene nanoribbons (GNRs) by Z2FH
Yubin
3
64
2020/12/13 01:50
by Hikaru Sawahata
Question about the sum of PDOS
Liu Jie
2
52
2020/12/12 18:31
by Liu Jie
Difference in the energy value of single Al atom calculated by different method.
Lovleen Kaur
1
46
2020/12/11 20:14
by Lovleen Kaur
Wrong calculation of chemical potential in some cases
Seungjin Kang
1
66
2020/12/10 15:42
by Naoya Yamaguchi
OpenMX3.9 installation error -ubuntu 20.04 server
Mangesh Diware
2
86
2020/12/02 11:28
by Mangesh Diware
installation error openmx 3.9
Altan
13
487
2020/11/30 19:58
by long bandage dress
Born effective charge
reza
2
78
2020/11/26 03:15
by reza
Phononic spectra
Riemann Dearakhshan
1
78
2020/11/26 01:50
by Naoya Yamaguchi
Negative scaling factor of spin-orbit coupling
Hyeon-Jong Park
0
53
2020/11/20 19:28
by Hyeon-Jong Park
Is it possible to use hybrid functional HSE06 in OpenMX?
Lovleen Kaur
0
66
2020/11/20 15:44
by Lovleen Kaur
memory consumption of jx processor
Ruiwen Xie
1
70
2020/11/20 04:30
by Ruiwen Xie
Spin direction in non-collinear DFT calculation
Hyeon-Jong Park
0
84
2020/11/19 11:05
by Hyeon-Jong Park
Z2FH
Riemann Dearakhshan
11
138
2020/11/18 18:10
by Hikaru Sawahata
tensile and compressive strains
HOI
2
83
2020/11/13 14:36
by T. Ozaki
qustion over second variational method
Liu Jie
4
120
2020/11/13 13:45
by T. Ozaki
Meaning of FNAN[Gc_AN]
hou
4
82
2020/11/13 09:19
by hou
SiC + buffer layer 2x2 unfolding error
Malone
7
102
2020/11/11 07:01
by Malone
Ionic contribution of sawtooth potential for electric fields to force on atoms
Naoya Yamaguchi
0
226
2020/11/03 04:49
by Naoya Yamaguchi
Test issues
Gilad Gani
6
81
2020/11/02 19:36
by Naoya Yamaguchi
determination of magnetic moment by charge analysis
reza
2
83
2020/11/02 15:22
by reza
Atom out of cell during geometry optimization
Han
1
87
2020/11/02 13:49
by T. Ozaki
OpenMX3.9 installation error
Gilad Gani
9
138
2020/11/01 18:56
by Gilad Gani
BLACS WARNING
Husnan
1
72
2020/10/31 13:10
by Naoya Yamaguchi
optical conductivity and dielectric function in ver. 3.9
reza
2
112
2020/10/31 03:45
by reza
Installing OpenMX-3.9 on supercomputer
Riemann Dearakhshan
2
101
2020/10/30 04:47
by Riemann Dearakhshan
Macroscopic polarization calculation by Berry's phase
HOI
1
84
2020/10/29 01:00
by Naoya Yamaguchi
Install OpenMX with GCC 10
Naoya Yamaguchi
1
119
2020/10/27 14:02
by Naoya Yamaguchi
Mass of Heat Bath for Nose-Hoover thermostat
Mauro Sgroi
0
76
2020/10/26 19:31
by Mauro Sgroi
Structure of parallelization in OpenMX
Asako Terasawa
2
75
2020/10/26 18:00
by Asako Terasawa
Geometry optimization convergence with O(N) methods
Mauro Sgroi
3
110
2020/10/23 17:04
by Mauro Sgroi
About input files for periodic system under zero bias
Lei
0
83
2020/10/22 19:51
by Lei
MD energy drift using DC-LNO method
Kelvin
6
280
2020/10/22 16:09
by Mauro Sgroi
Calculation of electrochemical potential of an electrode in contact with a liquid
Mauro Sgroi
2
113
2020/10/22 15:51
by Mauro Sgroi
scf convergence problem in soc calculation
reza
4
139
2020/10/21 20:26
by reza
optimization problem
reza
2
93
2020/10/21 20:24
by reza
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