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Last Modified
openmx 3.8 -runtest vs. openmx 3.7.10 -runtest
PR
2
1106
2016/07/07 23:34
by PR
runtest error
Kazume NISHIDATE
2
1329
2016/07/04 10:04
by T. Ozaki
Memory control in OpenMX
Artem Pulkin
1
918
2016/07/04 09:58
by T. Ozaki
About MD.Fixed.XYZ
Guilherme Maia
2
981
2016/06/26 05:35
by Guilherme Maia
MP vs regular k-mesh - difference in band structure
Eike F. Schwier
2
981
2016/06/23 14:21
by Eike F. Schwier
How to deal with this error
Linus.Xing
1
825
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
915
2016/06/23 13:39
by T. Ozaki
Exchange field
Riemann
1
1011
2016/06/23 13:37
by T. Ozaki
Different values for the Polarization for the same system!!
Guilherme Maia
1
879
2016/06/23 13:21
by T. Ozaki
graphen
Smart
3
2531
2016/06/13 11:47
by Jane
The question about the output file of System.Name.md
Xiangyang Peng
4
948
2016/06/08 01:10
by Xiangyang Peng
Openmx and mobilities and effective masses
Mosahhar
1
790
2016/06/05 11:25
by T. Ozaki
units in the band plots
PR
1
864
2016/06/05 11:22
by T. Ozaki
Using openmx with external pseudopotentials
Daniil
13
1551
2016/06/05 00:11
by Daniil
Errors in installation of OpenMx3.7 and OpenMx3.8
Hawson
5
1711
2016/05/19 14:52
by T. Ozaki
How to calculate LaMnO3?
Hiroya Nakata
5
1039
2016/05/17 23:12
by hiroya
Question about Geometry Optimization
Eike F. Schwier
5
1901
2016/05/16 19:35
by Eike F. Schwier
gcc: error
Asadolla
2
1222
2016/05/11 14:32
by asad
Release of OpenMX Ver. 3.8
T. Ozaki
5
1431
2016/05/06 10:56
by Mitsuaki Kawamura
Include spin orbit coupling but turn off magnetism
Hung-Yu Yang
4
1516
2016/04/27 21:51
by Hung-Yu Yang
NPT molecular dynamics
Wei Lai
1
842
2016/04/20 19:06
by T. Ozaki
Compilation error version 3.8
Mauro Sgroi
2
1194
2016/04/19 18:23
by Mauro Sgroi
bug in the ESM module
Yun-Peng Wang
1
3739
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
1028
2016/04/08 18:29
by T. Ozaki
First Installation Error of Openmx-3.8
Riemann
2
1243
2016/04/05 05:49
by Riemann
Strangely Small Spin Moment in Material with Strong SOC
Keenan
1
933
2016/04/03 20:15
by T. Ozaki
Polarization by Berry's phase
Guilherme Maia
2
980
2016/03/29 02:19
by Guilherme Maia
How to unify optimized PAO files?
Yi Wang
2
942
2016/03/15 16:16
by Yi Wang
Convergence problem for NEGF self consistent loop of Fe/MgO/Fe system
Hiroshi Tsukahara
2
1415
2016/03/15 13:56
by T.Ozaki
how to know about stable structure
sanjeev
1
956
2016/03/15 13:35
by T.Ozaki
Young’s modulus
smart
1
886
2016/03/15 13:28
by T.Ozaki
Transport calculation not converging
Samuel
2
1084
2016/03/10 18:56
by Artem Pulkin
OpenMx's Method of Avoiding Local Trap of Spin Configuration
Jong Hyun Jung
1
955
2016/02/17 16:27
by Jong Hyun Jung
K-dependent Eigenstate
Riemann
2
988
2016/02/12 01:55
by Riemann
Calculating PDOS
Seungjin Kang
1
949
2016/02/05 19:50
by Artem Pulkin
Quantization axis for Wannier function?
Seungjin Kang
1
787
2016/01/18 20:51
by Artem Pulkin
error installation openMx version 3.6
Moh. Adhib Ulil Abso
0
1265
2015/12/18 12:57
by Moh. Adhib Ulil Abso
How to calculate scf of BaTiO3 ?
Dr.Luo
2
1136
2015/12/18 00:37
by Bingcheng Luo
Can OpenMX do geometry and lattice optimization simultaneously?
Yang Jin-Hoon
2
1249
2015/12/10 21:27
by Yang Jin-Hoon
NEGF and band gap
derek
1
984
2015/12/09 21:26
by Artem Pulkin
The LEFT lead cannot be superposed on the original cell even after the translation. Check your atomi
Richard Overstreet
3
1212
2015/12/09 21:03
by Artem Pulkin
runtestL Problem
Takeshi Mizuno
0
856
2015/12/07 18:24
by Takeshi Mizuno
Berry curvature
zl
0
966
2015/12/07 12:55
by zl
Berry curvature and anomalous Hall conductivity
L. Zhu
0
855
2015/12/06 19:17
by L. Zhu
gnuplot produces no plot
Barati
1
883
2015/11/29 20:44
by duan
magnetic field calculation
hui fu
2
1198
2015/11/24 20:58
by Eike F. Schwier
mpirun error
Barati
0
946
2015/11/23 03:16
by Barati
bandgnu13.c compilation error (2)
Barati
0
804
2015/11/22 04:12
by Barati
openmx3.7 installation error
Haider Abbas
5
2515
2015/11/22 00:08
by Barati
executing error, band dispersion problem
Barati
6
1094
2015/11/14 19:17
by Barati
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