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Topics
Author
Replies
Views
Last Modified
Can openMX simulate few layer graphene
John Chen
1
1111
2016/08/30 18:15
by Artem Pulkin
the question of bandgap and covalent bond
John Chen
4
1210
2016/08/30 17:18
by John Chen
Question about setting up angles in non-collinear DFT
Hung-Yu Yang
1
939
2016/08/30 16:30
by T. Ozaki
scf band calculations for different number of layers
Rohit
3
985
2016/08/29 14:39
by T. Ozaki
openmx3.7 error
zahra
1
1486
2016/08/25 23:10
by Riemann
openmx3.8 error
zahra
0
1080
2016/08/25 21:38
by zahra
There is a rigid shift toward negative energy in the band structure of MoS2 monolayer
Nadia Salami
1
1218
2016/08/22 12:50
by T. Ozaki
Release of OpenMX Viewer Ver. 1.0
T. Ozaki
0
1372
2016/08/20 01:34
by T. Ozaki
Projected band structure
Riemann
6
2726
2016/08/19 15:45
by Riemann
Projected Bandstructure with Unfolding Method
Riemann
6
1868
2016/08/17 03:44
by Riemann
Error in making DosMain
saeid amjadian
0
986
2016/08/12 21:42
by saeid amjadian
question regarding to plot up-spin and down-spin bands in noncollinear DFT calculations
Nadia Salami
1
1220
2016/08/12 18:36
by T. Ozaki
STM by WSXM
Lida
3
1818
2016/08/11 22:01
by T. Ozaki
Software for Density of state files ?
Rohit
1
978
2016/08/10 16:01
by T. Ozaki
OpenMX3.8 installation problem
Yohei Ibe
2
1356
2016/08/05 11:24
by Yohei Ibe
converting band file to GNUBAND,BANDDAT1 file
RG
3
1258
2016/08/03 15:08
by T. Ozaki
version of intel compiler
Sung
1
1023
2016/08/03 13:31
by T. Ozaki
Reduce timing of NEGF for Al
Hiroya Nakata
1
1166
2016/08/02 17:15
by Artem Pulkin
problems with plotting the band structure.
Rohit Goel
1
1358
2016/07/29 16:23
by Rohit Goel
Band unfolding for supercells with additional atoms
Nikolai Zaitsev
2
1253
2016/07/28 21:25
by Nikolai Zaitsev
Error in NEGF
Keshav Raheja
2
1271
2016/07/28 02:00
by Keshav Raheja
Incomplete NEGF run with correct transmission vs energy result
Vipin Kumar
3
1408
2016/07/26 19:42
by Artem Pulkin
Band Structure of Black phosphorous
Rohit Goel
2
1159
2016/07/22 11:59
by Rohit Goel
PAOs of lead atoms can overlap only to the next nearest region
Vipin Kumar
10
1447
2016/07/18 20:18
by Vipin Kumar
Do the molecular orbitals obtained by openmx include the factor exp(ikr)?
Xiangyang Peng
2
604
2016/07/14 18:25
by Xiangyang Peng
Phosphorene Real Space Hmiltonian
Riemann
3
1467
2016/07/11 22:11
by Artem Pulkin
openmx 3.8 -runtest vs. openmx 3.7.10 -runtest
PR
2
1308
2016/07/07 23:34
by PR
runtest error
Kazume NISHIDATE
2
1629
2016/07/04 10:04
by T. Ozaki
Memory control in OpenMX
Artem Pulkin
1
1130
2016/07/04 09:58
by T. Ozaki
About MD.Fixed.XYZ
Guilherme Maia
2
1215
2016/06/26 05:35
by Guilherme Maia
MP vs regular k-mesh - difference in band structure
Eike F. Schwier
2
1251
2016/06/23 14:21
by Eike F. Schwier
How to deal with this error
Linus.Xing
1
1022
2016/06/23 13:44
by T. Ozaki
is this Natural bond orbital (NBO) analysis for large-scale DFT calculation implemented in OpenMX3.8
Linus.Xing
1
1124
2016/06/23 13:39
by T. Ozaki
Exchange field
Riemann
1
1268
2016/06/23 13:37
by T. Ozaki
Different values for the Polarization for the same system!!
Guilherme Maia
1
1042
2016/06/23 13:21
by T. Ozaki
graphen
Smart
3
2894
2016/06/13 11:47
by Jane
The question about the output file of System.Name.md
Xiangyang Peng
4
1180
2016/06/08 01:10
by Xiangyang Peng
Openmx and mobilities and effective masses
Mosahhar
1
961
2016/06/05 11:25
by T. Ozaki
units in the band plots
PR
1
1050
2016/06/05 11:22
by T. Ozaki
Using openmx with external pseudopotentials
Daniil
13
1842
2016/06/05 00:11
by Daniil
Errors in installation of OpenMx3.7 and OpenMx3.8
Hawson
5
1999
2016/05/19 14:52
by T. Ozaki
How to calculate LaMnO3?
Hiroya Nakata
5
1236
2016/05/17 23:12
by hiroya
Question about Geometry Optimization
Eike F. Schwier
5
2182
2016/05/16 19:35
by Eike F. Schwier
gcc: error
Asadolla
2
1454
2016/05/11 14:32
by asad
Release of OpenMX Ver. 3.8
T. Ozaki
5
1654
2016/05/06 10:56
by Mitsuaki Kawamura
Include spin orbit coupling but turn off magnetism
Hung-Yu Yang
4
1756
2016/04/27 21:51
by Hung-Yu Yang
NPT molecular dynamics
Wei Lai
1
1037
2016/04/20 19:06
by T. Ozaki
Compilation error version 3.8
Mauro Sgroi
2
1453
2016/04/19 18:23
by Mauro Sgroi
bug in the ESM module
Yun-Peng Wang
1
3920
2016/04/15 14:08
by T. Ohwaki
why the change in result for the transport calculation for negf-8zgnr-0.3 when done with openmx3.5
Pavan choudary
3
1185
2016/04/08 18:29
by T. Ozaki
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