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From Administrator
Taisuke Ozaki
0
28
2021/04/07 21:20
by Taisuke Ozaki
An error : "Num. of grids overlapping with atom" after mpirun openmx3.9
Adam
1
14
2021/04/17 20:51
by Naoya Yamaguchi
installatin openmx3.9 error
Adam
22
133
2021/04/16 03:42
by Alex
input file for the restart calculation
reza
9
35
2021/04/15 02:17
by Naoya Yamaguchi
Crys-MnO example from work
Sergey
5
264
2021/04/11 18:42
by Mehdi
about "Automatic running test with large-scale systems" (openmx3.9)
Hiromi Hayashi
0
37
2021/03/30 17:34
by Hiromi Hayashi
Chern number
wlliu
1
50
2021/03/30 15:24
by Hikaru Sawahata
Scaling
Samuel Dechamps
0
67
2021/03/08 20:25
by Samuel Dechamps
Compilation Error: openmx 3.9
Renato
2
133
2021/03/04 11:47
by Renato
installatin openmx3.9 with intel-fortran compilers
mani
10
211
2021/03/02 23:07
by mehdi
convegence problems with corehole calculations
Pavel Ondračka
2
71
2021/02/22 21:39
by Pavel Ondračka
Negative charge Nd ions within DFT+U calculation
Aleksey
1
181
2021/02/19 15:00
by Jhon W. Gonzalez
NEB: how to decide the MD.Opt.criterion value
Borong
6
115
2021/02/05 10:27
by Borong
Bug in OpenMX
Artem Pulkin
1
160
2021/01/14 21:23
by Artem Pulkin
Spi-orbit coupling
Artem Pulkin
0
147
2021/01/13 19:40
by Artem Pulkin
No rule to make target `Cluster_DFT.c', needed by `Cluster_DFT.o'. Stop.
Riemann Dearakhshan
1
108
2020/12/31 18:56
by Naoya Yamaguchi
STM Simulation doesn't work when solver is Cluster
Kelvin
1
121
2020/12/28 02:42
by Naoya Yamaguchi
How to analyze Orbital magnetic Moment
Chen Yaqing
0
119
2020/12/27 20:58
by Chen Yaqing
determination of Exchange coupling parameter
reza
4
251
2020/12/22 07:14
by reza
About euler angle
Liu Jie
0
122
2020/12/16 22:28
by Liu Jie
How to relate the sequence for the orbital to atomic orbitals
Riemann Dearakhshan
0
118
2020/12/16 03:05
by Riemann Dearakhshan
In the ACE Model:What are the criteria for setting the start values?
Zhenzhen Luo
1
122
2020/12/14 19:39
by Naoya Yamaguchi
Label d-orbitals in PDOS
Lovleen Kaur
3
166
2020/12/14 14:19
by Lovleen Kaur
Filename.dden.cube file
Riemann Dearakhshan
1
128
2020/12/14 13:40
by Naoya Yamaguchi
Parameter about Symmetry
Liu Jie
0
119
2020/12/14 11:45
by Liu Jie
scf.kgrid and scf.cutoff
yeganeh nasr
0
128
2020/12/13 18:53
by yeganeh nasr
Computing Z2 invariant for 1D graphene nanoribbons (GNRs) by Z2FH
Yubin
3
151
2020/12/13 01:50
by Hikaru Sawahata
Question about the sum of PDOS
Liu Jie
2
119
2020/12/12 18:31
by Liu Jie
Difference in the energy value of single Al atom calculated by different method.
Lovleen Kaur
1
112
2020/12/11 20:14
by Lovleen Kaur
Wrong calculation of chemical potential in some cases
Seungjin Kang
1
154
2020/12/10 15:42
by Naoya Yamaguchi
OpenMX3.9 installation error -ubuntu 20.04 server
Mangesh Diware
2
187
2020/12/02 11:28
by Mangesh Diware
Born effective charge
reza
2
156
2020/11/26 03:15
by reza
Phononic spectra
Riemann Dearakhshan
1
162
2020/11/26 01:50
by Naoya Yamaguchi
Negative scaling factor of spin-orbit coupling
Hyeon-Jong Park
0
120
2020/11/20 19:28
by Hyeon-Jong Park
Is it possible to use hybrid functional HSE06 in OpenMX?
Lovleen Kaur
0
144
2020/11/20 15:44
by Lovleen Kaur
memory consumption of jx processor
Ruiwen Xie
1
155
2020/11/20 04:30
by Ruiwen Xie
Spin direction in non-collinear DFT calculation
Hyeon-Jong Park
0
165
2020/11/19 11:05
by Hyeon-Jong Park
Z2FH
Riemann Dearakhshan
11
220
2020/11/18 18:10
by Hikaru Sawahata
tensile and compressive strains
HOI
2
176
2020/11/13 14:36
by T. Ozaki
qustion over second variational method
Liu Jie
4
187
2020/11/13 13:45
by T. Ozaki
Meaning of FNAN[Gc_AN]
hou
4
140
2020/11/13 09:19
by hou
SiC + buffer layer 2x2 unfolding error
Malone
7
166
2020/11/11 07:01
by Malone
Ionic contribution of sawtooth potential for electric fields to force on atoms
Naoya Yamaguchi
0
409
2020/11/03 04:49
by Naoya Yamaguchi
Test issues
Gilad Gani
6
148
2020/11/02 19:36
by Naoya Yamaguchi
determination of magnetic moment by charge analysis
reza
2
155
2020/11/02 15:22
by reza
Atom out of cell during geometry optimization
Han
1
142
2020/11/02 13:49
by T. Ozaki
OpenMX3.9 installation error
Gilad Gani
9
262
2020/11/01 18:56
by Gilad Gani
BLACS WARNING
Husnan
1
142
2020/10/31 13:10
by Naoya Yamaguchi
optical conductivity and dielectric function in ver. 3.9
reza
2
186
2020/10/31 03:45
by reza
Installing OpenMX-3.9 on supercomputer
Riemann Dearakhshan
2
190
2020/10/30 04:47
by Riemann Dearakhshan
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