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Topics Author Replies Views Last Modified
Strangely Small Spin Moment in Material with Strong SOCKeenan117152016/04/03 20:15
by T. Ozaki
Polarization by Berry's phaseGuilherme Maia217282016/03/29 02:19
by Guilherme Maia
How to unify optimized PAO files?Yi Wang216472016/03/15 16:16
by Yi Wang
Convergence problem for NEGF self consistent loop of Fe/MgO/Fe systemHiroshi Tsukahara225032016/03/15 13:56
by T.Ozaki
how to know about stable structuresanjeev116832016/03/15 13:35
by T.Ozaki
Young’s modulussmart116052016/03/15 13:28
by T.Ozaki
Transport calculation not convergingSamuel218812016/03/10 18:56
by Artem Pulkin
OpenMx's Method of Avoiding Local Trap of Spin ConfigurationJong Hyun Jung117222016/02/17 16:27
by Jong Hyun Jung
K-dependent EigenstateRiemann217992016/02/12 01:55
by Riemann
Calculating PDOSSeungjin Kang117442016/02/05 19:50
by Artem Pulkin
Quantization axis for Wannier function?Seungjin Kang115962016/01/18 20:51
by Artem Pulkin
error installation openMx version 3.6Moh. Adhib Ulil Abso020352015/12/18 12:57
by Moh. Adhib Ulil Abso
How to calculate scf of BaTiO3 ?Dr.Luo219192015/12/18 00:37
by Bingcheng Luo
Can OpenMX do geometry and lattice optimization simultaneously?Yang Jin-Hoon 221142015/12/10 21:27
by Yang Jin-Hoon
NEGF and band gapderek117452015/12/09 21:26
by Artem Pulkin
The LEFT lead cannot be superposed on the original cell even after the translation. Check your atomiRichard Overstreet321952015/12/09 21:03
by Artem Pulkin
runtestL ProblemTakeshi Mizuno016262015/12/07 18:24
by Takeshi Mizuno
Berry curvaturezl017782015/12/07 12:55
by zl
Berry curvature and anomalous Hall conductivityL. Zhu016222015/12/06 19:17
by L. Zhu
gnuplot produces no plotBarati116072015/11/29 20:44
by duan
magnetic field calculationhui fu221882015/11/24 20:58
by Eike F. Schwier
mpirun errorBarati016532015/11/23 03:16
by Barati
bandgnu13.c compilation error (2)Barati015102015/11/22 04:12
by Barati
openmx3.7 installation errorHaider Abbas535682015/11/22 00:08
by Barati
executing error, band dispersion problemBarati618712015/11/14 19:17
by Barati
studentYi Wang317452015/11/14 16:05
by Yi Wang
parallel running errorduan246392015/11/08 18:38
by marcindulak
openmx-3.7.10 incompatible with elpa-2015.02.002marcindulak019142015/11/07 22:03
by marcindulak
magnetic property of zigzag MoS2 nanoribbonWill 720412015/11/07 00:35
by Artem Pulkin
Semi-local PPNikolai015752015/11/05 20:23
by Nikolai
Sign of force difference between *.out and *.mdsung mo Kang016392015/11/05 15:00
by sung mo Kang
Is an output wave function Bloch?M. Yamada321342015/10/18 00:35
by M. Yamada
NEGF convergenceArtem Pulkin018152015/10/02 18:28
by Artem Pulkin
View details for molecular dynamicsVasiliy St016232015/09/28 15:19
by Vasiliy St
Difficult to get converge in spin polarized NEGF calculationPang018342015/09/17 01:54
by Pang
Crystal Relaxation under PressureKhalid017802015/08/23 00:06
by Khalid
Keep getting errors for NEGF calculation - Leads setting and warning of energy stepsKuan Zhou221832015/08/21 15:57
by Qurat
Any way to specify the energy range of LCAO coefficient output?Seungjin Kang117772015/08/14 18:38
by Artem Pulkin
number of bands and number of k-pointskhalid220762015/08/08 23:36
by Khalid
NEGF in GrapheneKhalid220512015/08/08 23:34
by Khalid
LCAO coefficientsEike F. Schwier667202015/08/07 12:41
by T. Ozaki
Order N methods for NEGF calculationKZ118202015/08/06 11:28
by T. Ozaki
Problem with NEB restart and with specifying pathMauro Sgroi120542015/08/06 10:40
by T. Ozaki
Keep getting Segmentation fault for large NEGF calculationsKZ118102015/08/06 10:36
by T. Ozaki
Molecular dynamics for charged paricles of ionic electrolytesA. Chow131782015/08/06 10:28
by T. Ozaki
Geometry optimization using Krylov subspace methodLK117692015/08/06 10:18
by T. Ozaki
Bulk transport systemKhalid451952015/07/07 02:51
by Khalid
Some questions about transportkhalid219902015/06/24 17:05
by khalid
O(N) Calculations for Cases with Spin Orbit CouplingKZ541762015/06/24 10:33
by KZ
*.sden.cubeRiemann217782015/06/16 17:06
by Riemann

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