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Topics Author Replies Views Last Modified
Transport calculation not convergingSamuel28592016/03/10 18:56
by Artem Pulkin
OpenMx's Method of Avoiding Local Trap of Spin ConfigurationJong Hyun Jung17342016/02/17 16:27
by Jong Hyun Jung
K-dependent EigenstateRiemann27342016/02/12 01:55
by Riemann
Calculating PDOSSeungjin Kang17282016/02/05 19:50
by Artem Pulkin
Quantization axis for Wannier function?Seungjin Kang15692016/01/18 20:51
by Artem Pulkin
error installation openMx version 3.6Moh. Adhib Ulil Abso010132015/12/18 12:57
by Moh. Adhib Ulil Abso
How to calculate scf of BaTiO3 ?Dr.Luo29002015/12/18 00:37
by Bingcheng Luo
Can OpenMX do geometry and lattice optimization simultaneously?Yang Jin-Hoon 28392015/12/10 21:27
by Yang Jin-Hoon
NEGF and band gapderek17812015/12/09 21:26
by Artem Pulkin
The LEFT lead cannot be superposed on the original cell even after the translation. Check your atomiRichard Overstreet39222015/12/09 21:03
by Artem Pulkin
runtestL ProblemTakeshi Mizuno06422015/12/07 18:24
by Takeshi Mizuno
Berry curvaturezl07272015/12/07 12:55
by zl
Berry curvature and anomalous Hall conductivityL. Zhu06272015/12/06 19:17
by L. Zhu
gnuplot produces no plotBarati16722015/11/29 20:44
by duan
magnetic field calculationhui fu29502015/11/24 20:58
by Eike F. Schwier
mpirun errorBarati07352015/11/23 03:16
by Barati
bandgnu13.c compilation error (2)Barati06052015/11/22 04:12
by Barati
openmx3.7 installation errorHaider Abbas520252015/11/22 00:08
by Barati
executing error, band dispersion problemBarati68422015/11/14 19:17
by Barati
studentYi Wang37492015/11/14 16:05
by Yi Wang
parallel running errorduan235982015/11/08 18:38
by marcindulak
openmx-3.7.10 incompatible with elpa-2015.02.002marcindulak08002015/11/07 22:03
by marcindulak
magnetic property of zigzag MoS2 nanoribbonWill 79532015/11/07 00:35
by Artem Pulkin
Semi-local PPNikolai06812015/11/05 20:23
by Nikolai
Sign of force difference between *.out and *.mdsung mo Kang07682015/11/05 15:00
by sung mo Kang
Is an output wave function Bloch?M. Yamada39612015/10/18 00:35
by M. Yamada
NEGF convergenceArtem Pulkin08342015/10/02 18:28
by Artem Pulkin
View details for molecular dynamicsVasiliy St06692015/09/28 15:19
by Vasiliy St
Difficult to get converge in spin polarized NEGF calculationPang08252015/09/17 01:54
by Pang
Crystal Relaxation under PressureKhalid08362015/08/23 00:06
by Khalid
Keep getting errors for NEGF calculation - Leads setting and warning of energy stepsKuan Zhou211272015/08/21 15:57
by Qurat
Any way to specify the energy range of LCAO coefficient output?Seungjin Kang18172015/08/14 18:38
by Artem Pulkin
number of bands and number of k-pointskhalid29082015/08/08 23:36
by Khalid
NEGF in GrapheneKhalid210702015/08/08 23:34
by Khalid
LCAO coefficientsEike F. Schwier649292015/08/07 12:41
by T. Ozaki
Order N methods for NEGF calculationKZ18762015/08/06 11:28
by T. Ozaki
Problem with NEB restart and with specifying pathMauro Sgroi19502015/08/06 10:40
by T. Ozaki
Keep getting Segmentation fault for large NEGF calculationsKZ18482015/08/06 10:36
by T. Ozaki
Molecular dynamics for charged paricles of ionic electrolytesA. Chow121482015/08/06 10:28
by T. Ozaki
Geometry optimization using Krylov subspace methodLK18022015/08/06 10:18
by T. Ozaki
Bulk transport systemKhalid441112015/07/07 02:51
by Khalid
Some questions about transportkhalid210632015/06/24 17:05
by khalid
O(N) Calculations for Cases with Spin Orbit CouplingKZ526412015/06/24 10:33
by KZ
*.sden.cubeRiemann28772015/06/16 17:06
by Riemann
Regarding error in results of NEGF calculationKZ411162015/06/14 13:32
by KZ
TranMainboshra123352015/06/13 19:06
by Riemann
Diagonal terms in overlap matrix not equalled to 1KZ1011412015/06/12 19:15
by Artem Pulkin
PAV in Openmx?Giovanni110702015/06/09 23:32
by Artem Pulkin
How to generate a mixed pseudopotentialPR342762015/06/09 17:32
by T. Ozaki
Unfolding band structureEike F. Schwier212632015/06/09 12:05
by Eike F. Schwier

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