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Topics Author Replies Views Last Modified
MP vs regular k-mesh - difference in band structureEike F. Schwier23852016/06/23 14:21
by Eike F. Schwier
How to deal with this errorLinus.Xing13172016/06/23 13:44
by T. Ozaki
is this Natural bond orbital (NBO) analysis for large-scale DFT calculation implemented in OpenMX3.8Linus.Xing13482016/06/23 13:39
by T. Ozaki
Exchange fieldRiemann13292016/06/23 13:37
by T. Ozaki
Different values for the Polarization for the same system!!Guilherme Maia13602016/06/23 13:21
by T. Ozaki
graphenSmart39202016/06/13 11:47
by Jane
The question about the output file of System.Name.mdXiangyang Peng43862016/06/08 01:10
by Xiangyang Peng
Openmx and mobilities and effective massesMosahhar13322016/06/05 11:25
by T. Ozaki
units in the band plotsPR13562016/06/05 11:22
by T. Ozaki
Using openmx with external pseudopotentialsDaniil136472016/06/05 00:11
by Daniil
Errors in installation of OpenMx3.7 and OpenMx3.8Hawson56982016/05/19 14:52
by T. Ozaki
How to calculate LaMnO3?Hiroya Nakata54402016/05/17 23:12
by hiroya
Question about Geometry Optimization Eike F. Schwier510862016/05/16 19:35
by Eike F. Schwier
gcc: errorAsadolla24782016/05/11 14:32
by asad
Release of OpenMX Ver. 3.8T. Ozaki57342016/05/06 10:56
by Mitsuaki Kawamura
Include spin orbit coupling but turn off magnetismHung-Yu Yang45032016/04/27 21:51
by Hung-Yu Yang
NPT molecular dynamicsWei Lai13692016/04/20 19:06
by T. Ozaki
Compilation error version 3.8Mauro Sgroi25172016/04/19 18:23
by Mauro Sgroi
bug in the ESM moduleYun-Peng Wang131412016/04/15 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 choudary34162016/04/08 18:29
by T. Ozaki
First Installation Error of Openmx-3.8Riemann24882016/04/05 05:49
by Riemann
Strangely Small Spin Moment in Material with Strong SOCKeenan13592016/04/03 20:15
by T. Ozaki
Polarization by Berry's phaseGuilherme Maia24192016/03/29 02:19
by Guilherme Maia
How to unify optimized PAO files?Yi Wang24392016/03/15 16:16
by Yi Wang
Convergence problem for NEGF self consistent loop of Fe/MgO/Fe systemHiroshi Tsukahara27072016/03/15 13:56
by T.Ozaki
how to know about stable structuresanjeev14432016/03/15 13:35
by T.Ozaki
Young’s modulussmart14062016/03/15 13:28
by T.Ozaki
Transport calculation not convergingSamuel24742016/03/10 18:56
by Artem Pulkin
OpenMx's Method of Avoiding Local Trap of Spin ConfigurationJong Hyun Jung15012016/02/17 16:27
by Jong Hyun Jung
K-dependent EigenstateRiemann24312016/02/12 01:55
by Riemann
Calculating PDOSSeungjin Kang14572016/02/05 19:50
by Artem Pulkin
Quantization axis for Wannier function?Seungjin Kang13442016/01/18 20:51
by Artem Pulkin
error installation openMx version 3.6Moh. Adhib Ulil Abso06202015/12/18 12:57
by Moh. Adhib Ulil Abso
How to calculate scf of BaTiO3 ?Dr.Luo25692015/12/18 00:37
by Bingcheng Luo
Can OpenMX do geometry and lattice optimization simultaneously?Yang Jin-Hoon 25522015/12/10 21:27
by Yang Jin-Hoon
NEGF and band gapderek15592015/12/09 21:26
by Artem Pulkin
The LEFT lead cannot be superposed on the original cell even after the translation. Check your atomiRichard Overstreet35342015/12/09 21:03
by Artem Pulkin
runtestL ProblemTakeshi Mizuno04192015/12/07 18:24
by Takeshi Mizuno
Berry curvaturezl04802015/12/07 12:55
by zl
Berry curvature and anomalous Hall conductivityL. Zhu04272015/12/06 19:17
by L. Zhu
gnuplot produces no plotBarati14442015/11/29 20:44
by duan
magnetic field calculationhui fu26162015/11/24 20:58
by Eike F. Schwier
mpirun errorBarati04952015/11/23 03:16
by Barati
bandgnu13.c compilation error (2)Barati03962015/11/22 04:12
by Barati
openmx3.7 installation errorHaider Abbas514852015/11/22 00:08
by Barati
executing error, band dispersion problemBarati65182015/11/14 19:17
by Barati
studentYi Wang35122015/11/14 16:05
by Yi Wang
parallel running errorduan231482015/11/08 18:38
by marcindulak
openmx-3.7.10 incompatible with elpa-2015.02.002marcindulak05562015/11/07 22:03
by marcindulak
magnetic property of zigzag MoS2 nanoribbonWill 76152015/11/07 00:35
by Artem Pulkin

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