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Topics Author Replies Views Last Modified
how to know about stable structuresanjeev18032016/03/15 13:35
by T.Ozaki
Young’s modulussmart17332016/03/15 13:28
by T.Ozaki
Transport calculation not convergingSamuel29292016/03/10 18:56
by Artem Pulkin
OpenMx's Method of Avoiding Local Trap of Spin ConfigurationJong Hyun Jung17952016/02/17 16:27
by Jong Hyun Jung
K-dependent EigenstateRiemann28102016/02/12 01:55
by Riemann
Calculating PDOSSeungjin Kang17932016/02/05 19:50
by Artem Pulkin
Quantization axis for Wannier function?Seungjin Kang16282016/01/18 20:51
by Artem Pulkin
error installation openMx version 3.6Moh. Adhib Ulil Abso011022015/12/18 12:57
by Moh. Adhib Ulil Abso
How to calculate scf of BaTiO3 ?Dr.Luo29832015/12/18 00:37
by Bingcheng Luo
Can OpenMX do geometry and lattice optimization simultaneously?Yang Jin-Hoon 210422015/12/10 21:27
by Yang Jin-Hoon
NEGF and band gapderek18472015/12/09 21:26
by Artem Pulkin
The LEFT lead cannot be superposed on the original cell even after the translation. Check your atomiRichard Overstreet310312015/12/09 21:03
by Artem Pulkin
runtestL ProblemTakeshi Mizuno07022015/12/07 18:24
by Takeshi Mizuno
Berry curvaturezl07952015/12/07 12:55
by zl
Berry curvature and anomalous Hall conductivityL. Zhu06802015/12/06 19:17
by L. Zhu
gnuplot produces no plotBarati17402015/11/29 20:44
by duan
magnetic field calculationhui fu210242015/11/24 20:58
by Eike F. Schwier
mpirun errorBarati07992015/11/23 03:16
by Barati
bandgnu13.c compilation error (2)Barati06672015/11/22 04:12
by Barati
openmx3.7 installation errorHaider Abbas521902015/11/22 00:08
by Barati
executing error, band dispersion problemBarati69232015/11/14 19:17
by Barati
studentYi Wang37972015/11/14 16:05
by Yi Wang
parallel running errorduan236742015/11/08 18:38
by marcindulak
openmx-3.7.10 incompatible with elpa-2015.02.002marcindulak08662015/11/07 22:03
by marcindulak
magnetic property of zigzag MoS2 nanoribbonWill 710312015/11/07 00:35
by Artem Pulkin
Semi-local PPNikolai07442015/11/05 20:23
by Nikolai
Sign of force difference between *.out and *.mdsung mo Kang08182015/11/05 15:00
by sung mo Kang
Is an output wave function Bloch?M. Yamada310222015/10/18 00:35
by M. Yamada
NEGF convergenceArtem Pulkin09062015/10/02 18:28
by Artem Pulkin
View details for molecular dynamicsVasiliy St07332015/09/28 15:19
by Vasiliy St
Difficult to get converge in spin polarized NEGF calculationPang09002015/09/17 01:54
by Pang
Crystal Relaxation under PressureKhalid09182015/08/23 00:06
by Khalid
Keep getting errors for NEGF calculation - Leads setting and warning of energy stepsKuan Zhou212052015/08/21 15:57
by Qurat
Any way to specify the energy range of LCAO coefficient output?Seungjin Kang18822015/08/14 18:38
by Artem Pulkin
number of bands and number of k-pointskhalid29712015/08/08 23:36
by Khalid
NEGF in GrapheneKhalid211352015/08/08 23:34
by Khalid
LCAO coefficientsEike F. Schwier651142015/08/07 12:41
by T. Ozaki
Order N methods for NEGF calculationKZ19452015/08/06 11:28
by T. Ozaki
Problem with NEB restart and with specifying pathMauro Sgroi110222015/08/06 10:40
by T. Ozaki
Keep getting Segmentation fault for large NEGF calculationsKZ19102015/08/06 10:36
by T. Ozaki
Molecular dynamics for charged paricles of ionic electrolytesA. Chow122242015/08/06 10:28
by T. Ozaki
Geometry optimization using Krylov subspace methodLK18652015/08/06 10:18
by T. Ozaki
Bulk transport systemKhalid441932015/07/07 02:51
by Khalid
Some questions about transportkhalid211262015/06/24 17:05
by khalid
O(N) Calculations for Cases with Spin Orbit CouplingKZ527722015/06/24 10:33
by KZ
*.sden.cubeRiemann29382015/06/16 17:06
by Riemann
Regarding error in results of NEGF calculationKZ411832015/06/14 13:32
by KZ
TranMainboshra125152015/06/13 19:06
by Riemann
Diagonal terms in overlap matrix not equalled to 1KZ1012312015/06/12 19:15
by Artem Pulkin
PAV in Openmx?Giovanni111462015/06/09 23:32
by Artem Pulkin

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