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Topics Author Replies Views Last Modified
is this Natural bond orbital (NBO) analysis for large-scale DFT calculation implemented in OpenMX3.8Linus.Xing17612016/06/23 13:39
by T. Ozaki
Exchange fieldRiemann17742016/06/23 13:37
by T. Ozaki
Different values for the Polarization for the same system!!Guilherme Maia17602016/06/23 13:21
by T. Ozaki
graphenSmart321792016/06/13 11:47
by Jane
The question about the output file of System.Name.mdXiangyang Peng47982016/06/08 01:10
by Xiangyang Peng
Openmx and mobilities and effective massesMosahhar16652016/06/05 11:25
by T. Ozaki
units in the band plotsPR17362016/06/05 11:22
by T. Ozaki
Using openmx with external pseudopotentialsDaniil1313382016/06/05 00:11
by Daniil
Errors in installation of OpenMx3.7 and OpenMx3.8Hawson515342016/05/19 14:52
by T. Ozaki
How to calculate LaMnO3?Hiroya Nakata58892016/05/17 23:12
by hiroya
Question about Geometry Optimization Eike F. Schwier516812016/05/16 19:35
by Eike F. Schwier
gcc: errorAsadolla210492016/05/11 14:32
by asad
Release of OpenMX Ver. 3.8T. Ozaki512782016/05/06 10:56
by Mitsuaki Kawamura
Include spin orbit coupling but turn off magnetismHung-Yu Yang412372016/04/27 21:51
by Hung-Yu Yang
NPT molecular dynamicsWei Lai17132016/04/20 19:06
by T. Ozaki
Compilation error version 3.8Mauro Sgroi210072016/04/19 18:23
by Mauro Sgroi
bug in the ESM moduleYun-Peng Wang136312016/04/15 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 choudary38972016/04/08 18:29
by T. Ozaki
First Installation Error of Openmx-3.8Riemann210752016/04/05 05:49
by Riemann
Strangely Small Spin Moment in Material with Strong SOCKeenan18062016/04/03 20:15
by T. Ozaki
Polarization by Berry's phaseGuilherme Maia28442016/03/29 02:19
by Guilherme Maia
How to unify optimized PAO files?Yi Wang28302016/03/15 16:16
by Yi Wang
Convergence problem for NEGF self consistent loop of Fe/MgO/Fe systemHiroshi Tsukahara212392016/03/15 13:56
by T.Ozaki
how to know about stable structuresanjeev18242016/03/15 13:35
by T.Ozaki
Young’s modulussmart17582016/03/15 13:28
by T.Ozaki
Transport calculation not convergingSamuel29582016/03/10 18:56
by Artem Pulkin
OpenMx's Method of Avoiding Local Trap of Spin ConfigurationJong Hyun Jung18212016/02/17 16:27
by Jong Hyun Jung
K-dependent EigenstateRiemann28452016/02/12 01:55
by Riemann
Calculating PDOSSeungjin Kang18202016/02/05 19:50
by Artem Pulkin
Quantization axis for Wannier function?Seungjin Kang16542016/01/18 20:51
by Artem Pulkin
error installation openMx version 3.6Moh. Adhib Ulil Abso011332015/12/18 12:57
by Moh. Adhib Ulil Abso
How to calculate scf of BaTiO3 ?Dr.Luo210042015/12/18 00:37
by Bingcheng Luo
Can OpenMX do geometry and lattice optimization simultaneously?Yang Jin-Hoon 210722015/12/10 21:27
by Yang Jin-Hoon
NEGF and band gapderek18712015/12/09 21:26
by Artem Pulkin
The LEFT lead cannot be superposed on the original cell even after the translation. Check your atomiRichard Overstreet310612015/12/09 21:03
by Artem Pulkin
runtestL ProblemTakeshi Mizuno07322015/12/07 18:24
by Takeshi Mizuno
Berry curvaturezl08262015/12/07 12:55
by zl
Berry curvature and anomalous Hall conductivityL. Zhu07102015/12/06 19:17
by L. Zhu
gnuplot produces no plotBarati17672015/11/29 20:44
by duan
magnetic field calculationhui fu210582015/11/24 20:58
by Eike F. Schwier
mpirun errorBarati08262015/11/23 03:16
by Barati
bandgnu13.c compilation error (2)Barati06942015/11/22 04:12
by Barati
openmx3.7 installation errorHaider Abbas522522015/11/22 00:08
by Barati
executing error, band dispersion problemBarati69492015/11/14 19:17
by Barati
studentYi Wang38182015/11/14 16:05
by Yi Wang
parallel running errorduan237052015/11/08 18:38
by marcindulak
openmx-3.7.10 incompatible with elpa-2015.02.002marcindulak08962015/11/07 22:03
by marcindulak
magnetic property of zigzag MoS2 nanoribbonWill 710632015/11/07 00:35
by Artem Pulkin
Semi-local PPNikolai07642015/11/05 20:23
by Nikolai
Sign of force difference between *.out and *.mdsung mo Kang08432015/11/05 15:00
by sung mo Kang

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