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Topics Author Replies Views Last Modified
Projected band structureRiemann64342016/08/19 15:45
by Riemann
Projected Bandstructure with Unfolding MethodRiemann64032016/08/17 03:44
by Riemann
Error in making DosMainsaeid amjadian02342016/08/12 21:42
by saeid amjadian
question regarding to plot up-spin and down-spin bands in noncollinear DFT calculationsNadia Salami12822016/08/12 18:36
by T. Ozaki
STM by WSXMLida35532016/08/11 22:01
by T. Ozaki
Software for Density of state files ?Rohit12502016/08/10 16:01
by T. Ozaki
OpenMX3.8 installation problemYohei Ibe23152016/08/05 11:24
by Yohei Ibe
converting band file to GNUBAND,BANDDAT1 fileRG32362016/08/03 15:08
by T. Ozaki
version of intel compilerSung12882016/08/03 13:31
by T. Ozaki
Reduce timing of NEGF for AlHiroya Nakata12512016/08/02 17:15
by Artem Pulkin
problems with plotting the band structure.Rohit Goel12722016/07/29 16:23
by Rohit Goel
Band unfolding for supercells with additional atomsNikolai Zaitsev23142016/07/28 21:25
by Nikolai Zaitsev
Error in NEGFKeshav Raheja22742016/07/28 02:00
by Keshav Raheja
Incomplete NEGF run with correct transmission vs energy resultVipin Kumar33102016/07/26 19:42
by Artem Pulkin
Band Structure of Black phosphorousRohit Goel23082016/07/22 11:59
by Rohit Goel
PAOs of lead atoms can overlap only to the next nearest regionVipin Kumar103432016/07/18 20:18
by Vipin Kumar
Do the molecular orbitals obtained by openmx include the factor exp(ikr)?Xiangyang Peng22742016/07/14 18:25
by Xiangyang Peng
Phosphorene Real Space HmiltonianRiemann34292016/07/11 22:11
by Artem Pulkin
openmx 3.8 -runtest vs. openmx 3.7.10 -runtestPR23212016/07/07 23:34
by PR
runtest errorKazume NISHIDATE23392016/07/04 10:04
by T. Ozaki
Memory control in OpenMXArtem Pulkin12652016/07/04 09:58
by T. Ozaki
About MD.Fixed.XYZGuilherme Maia22912016/06/26 05:35
by Guilherme Maia
MP vs regular k-mesh - difference in band structureEike F. Schwier23082016/06/23 14:21
by Eike F. Schwier
How to deal with this errorLinus.Xing12572016/06/23 13:44
by T. Ozaki
is this Natural bond orbital (NBO) analysis for large-scale DFT calculation implemented in OpenMX3.8Linus.Xing12792016/06/23 13:39
by T. Ozaki
Exchange fieldRiemann12642016/06/23 13:37
by T. Ozaki
Different values for the Polarization for the same system!!Guilherme Maia12942016/06/23 13:21
by T. Ozaki
graphenSmart38062016/06/13 11:47
by Jane
The question about the output file of System.Name.mdXiangyang Peng43012016/06/08 01:10
by Xiangyang Peng
Openmx and mobilities and effective massesMosahhar12762016/06/05 11:25
by T. Ozaki
units in the band plotsPR12802016/06/05 11:22
by T. Ozaki
Using openmx with external pseudopotentialsDaniil135202016/06/05 00:11
by Daniil
Errors in installation of OpenMx3.7 and OpenMx3.8Hawson55982016/05/19 14:52
by T. Ozaki
How to calculate LaMnO3?Hiroya Nakata53612016/05/17 23:12
by hiroya
Question about Geometry Optimization Eike F. Schwier59772016/05/16 19:35
by Eike F. Schwier
gcc: errorAsadolla23812016/05/11 14:32
by asad
Release of OpenMX Ver. 3.8T. Ozaki56192016/05/06 10:56
by Mitsuaki Kawamura
Include spin orbit coupling but turn off magnetismHung-Yu Yang44172016/04/27 21:51
by Hung-Yu Yang
NPT molecular dynamicsWei Lai13022016/04/20 19:06
by T. Ozaki
Compilation error version 3.8Mauro Sgroi24332016/04/19 18:23
by Mauro Sgroi
bug in the ESM moduleYun-Peng Wang129542016/04/15 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 choudary33452016/04/08 18:29
by T. Ozaki
First Installation Error of Openmx-3.8Riemann24162016/04/05 05:49
by Riemann
Strangely Small Spin Moment in Material with Strong SOCKeenan12942016/04/03 20:15
by T. Ozaki
Polarization by Berry's phaseGuilherme Maia23442016/03/29 02:19
by Guilherme Maia
How to unify optimized PAO files?Yi Wang23562016/03/15 16:16
by Yi Wang
Convergence problem for NEGF self consistent loop of Fe/MgO/Fe systemHiroshi Tsukahara26162016/03/15 13:56
by T.Ozaki
how to know about stable structuresanjeev13732016/03/15 13:35
by T.Ozaki
Young’s modulussmart13372016/03/15 13:28
by T.Ozaki
Transport calculation not convergingSamuel23742016/03/10 18:56
by Artem Pulkin

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