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Author
Replies
Views
Last Modified
Spi-orbit coupling
Artem Pulkin
1
514
2021/08/01 11:48
by T. Ozaki
Bug in OpenMX
Artem Pulkin
2
588
2021/08/01 11:11
by T. Ozaki
Scaling
Samuel Dechamps
1
382
2021/08/01 10:32
by T. Ozaki
Error with gcc v10 +
Samuel Dechamps
2
248
2021/07/30 12:41
by T. Ozaki
Error occurs when NEB calculation runs
Ninomiya
7
293
2021/07/21 10:42
by Ninomiya
convegence problems with corehole calculations
Pavel Ondračka
8
448
2021/07/20 18:41
by T. Ozaki
Temperature fluctations in NVT Nose Hoover MD calculations
Lovleen Kaur
4
237
2021/07/20 17:27
by Lovleen Kaur
basic question about DFT-NEGF
RK
1
224
2021/07/20 11:00
by T. Ozaki
Charge density distribution from the bottom conduction band and top valence band
Z
5
232
2021/07/20 10:51
by T. Ozaki
Absolute core electron binding energies with surface slab
Pavel Ondracka
19
364
2021/07/12 23:01
by Pavel Ondracka
Kgird dependence of HS.out value
PES217i
3
229
2021/07/02 09:10
by T. Ozaki
Mass of Heat Bath for Nose-Hoover thermostat
Mauro Sgroi
3
541
2021/06/25 16:52
by Lovleen Kaur
Memory problem in supercomputers
Ninomiya
10
369
2021/06/19 20:55
by Ninomiya
My Workstation restart just when the calculation start runing
L.Bechohra
2
236
2021/06/17 04:37
by L.Bechohra
kSpin Error: No Bands are Found
Simba
16
283
2021/06/15 01:07
by Naoya Yamaguchi
Wrong band structure of BaSnO3 from OpenMX
Zuzhang Lin
5
491
2021/06/13 22:16
by T. Ozaki
Unit of x-axis (k-points) in BANDDAT1 file?
Simba
5
225
2021/06/13 18:59
by Naoya Yamaguchi
How to Resume the calculations after it crashed
Simba
3
196
2021/06/13 03:59
by Naoya Yamaguchi
Different Z2 Invariants with and without Band.dispersion 'on'
Simba
4
299
2021/06/09 22:48
by T. Ozaki
Non-Integer Chern Number (CN)?
Simba
6
299
2021/06/04 14:21
by Naoya Yamaguchi
SCF setting about geometry optimization or variable cell optimization
Z
2
225
2021/06/01 16:56
by Z
Computing Z2 invariant for 1D graphene nanoribbons (GNRs) by Z2FH
Yubin
7
566
2021/05/25 22:52
by Simba
stress tensor and band energy
Pavel Ondracka
1
273
2021/05/25 17:29
by Naoya Yamaguchi
spin spiral calculation not converge
mani
0
266
2021/05/25 05:53
by mani
Chern number
wlliu
7
324
2021/05/24 22:39
by Simba
The meaning of Rn in HS.out
Mao
2
322
2021/05/17 17:14
by Mao
A problem about band generating by gnuplot
Z
2
239
2021/05/12 21:17
by Z
PAO visulization
Xin
3
242
2021/05/11 02:43
by Naoya Yamaguchi
ERROR: Lapack routine DSTEQR failed
mani
6
346
2021/05/03 23:10
by Naoya Yamaguchi
Segmentation fault
mani
2
288
2021/05/03 10:03
by mani
installatin openmx3.9 error
Adam
24
637
2021/04/23 01:35
by Naoya Yamaguchi
An error : "Num. of grids overlapping with atom" after mpirun openmx3.9
Adam
1
332
2021/04/17 20:51
by Naoya Yamaguchi
input file for the restart calculation
reza
9
347
2021/04/15 02:17
by Naoya Yamaguchi
Crys-MnO example from work
Sergey
5
550
2021/04/11 18:42
by Mehdi
about "Automatic running test with large-scale systems" (openmx3.9)
Hiromi Hayashi
0
284
2021/03/30 17:34
by Hiromi Hayashi
Compilation Error: openmx 3.9
Renato
2
583
2021/03/04 11:47
by Renato
installatin openmx3.9 with intel-fortran compilers
mani
10
783
2021/03/02 23:07
by mehdi
Negative charge Nd ions within DFT+U calculation
Aleksey
1
531
2021/02/19 15:00
by Jhon W. Gonzalez
NEB: how to decide the MD.Opt.criterion value
Borong
6
418
2021/02/05 10:27
by Borong
No rule to make target `Cluster_DFT.c', needed by `Cluster_DFT.o'. Stop.
Riemann Dearakhshan
1
353
2020/12/31 18:56
by Naoya Yamaguchi
STM Simulation doesn't work when solver is Cluster
Kelvin
1
405
2020/12/28 02:42
by Naoya Yamaguchi
How to analyze Orbital magnetic Moment
Chen Yaqing
0
364
2020/12/27 20:58
by Chen Yaqing
determination of Exchange coupling parameter
reza
4
520
2020/12/22 07:14
by reza
About euler angle
Liu Jie
0
349
2020/12/16 22:28
by Liu Jie
How to relate the sequence for the orbital to atomic orbitals
Riemann Dearakhshan
0
361
2020/12/16 03:05
by Riemann Dearakhshan
In the ACE Model:What are the criteria for setting the start values?
Zhenzhen Luo
1
382
2020/12/14 19:39
by Naoya Yamaguchi
Label d-orbitals in PDOS
Lovleen Kaur
3
534
2020/12/14 14:19
by Lovleen Kaur
Filename.dden.cube file
Riemann Dearakhshan
1
386
2020/12/14 13:40
by Naoya Yamaguchi
Parameter about Symmetry
Liu Jie
0
353
2020/12/14 11:45
by Liu Jie
scf.kgrid and scf.cutoff
yeganeh nasr
0
400
2020/12/13 18:53
by yeganeh nasr
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