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Topics Author Replies Views Last Modified
Hamiltonian matrix fileMaedeh517112019/06/08 05:12
by Maedeh
Questions about functionalsAleksey010382019/06/06 20:57
by Aleksey
Some Suggestions about new versionReza111422019/05/30 05:57
by Po-Hao Chang
Installation of OpenMX in IUAC cluster server Vicky1413442019/05/30 02:54
by Naoya Yamaguchi
Cell optimization with Krylov subspace methodPavel Ondračka08612019/05/28 20:18
by Pavel Ondračka
GGA+Ureza09822019/05/23 18:45
by reza
convergence for ESM calculation with on4 in HfO2Z Jiang09542019/05/18 06:40
by Z Jiang
Zeeman term in the OpenMx is not working!Santu Baidya310062019/05/15 11:23
by Santu Baidya
Memory ConsumptionReza38802019/05/03 02:42
by Reza
SCFOUT Error - Hamiltonian incorrectly saved for MD.Type OptJ. Chapman1112932019/04/04 01:29
by J. Chapman
The problem of RF constrained optimization with patch 3.8.4 and 3.8.5Alisa410372019/03/27 00:40
by Naoya Yamaguchi
installation errorHaider Abbas512482019/03/15 05:12
by Naoya Yamaguchi
Error occurs when NEB calculation runs with DFT-D3Kunihiro Yananose210702019/03/05 13:57
by Kunihiro Yananose
Graphene Band CalculationsLovleen Kaur523172019/02/09 03:21
by Naoya Yamaguchi
How to apply periodic boundary conditionssanjeev415072019/02/08 23:03
by Kylin
JRCAT 244p and JAIST 2122pJ. Chapman110802019/01/29 19:15
by Naoya Yamaguchi
NEGF for a thin filmSachin010022018/12/26 23:49
by Sachin
negf optimizationmath08682018/12/26 18:25
by math
Anomalies in bandstructure of NdAlO3Aleksey110662018/12/18 08:46
by Aleksey
Controlling SOC strengthjhong618142018/11/27 15:09
by jhong
The output file is not updatedxuemei08682018/11/26 10:38
by xuemei
The problems of constrained optimization with EFxm411922018/11/20 23:23
by xm
The problem about NEGF calculationWeiqi Li412002018/11/08 17:03
by Weiqi Li
PAO questionWeiqi Li110462018/11/07 18:22
by Weiqi Li
projected direction in pdosMaedeh09322018/10/18 02:20
by Maedeh
transition probability calculation for metal cluster (rare metal)Manabu Inukai210532018/10/17 14:48
by Manabu Inukai
Electric field perpendicular to 2D materialssabike112742018/10/13 00:54
by Po-Hao
convergence of optimizationsabike214122018/10/11 23:07
by sabike
How to calculate charge density and deformation charge density with openmxxm011222018/10/11 09:17
by xm
compilation error: openmx 3.8Renato 1141712018/10/11 02:35
by Renato
planar-averaged electrostatic potential Po-Hao550632018/10/09 12:00
by Naoya Yamaguchi
Transport direction in 2D slab NEGF calculationZHOU Jiaqi012112018/09/28 14:59
by ZHOU Jiaqi
transport direction for thin filmPrashant413442018/09/14 12:57
by Prashant
Vacancy study with OpenMxSamuel Dechamps110692018/09/13 13:00
by Naoya Yamaguchi
Patches to apply to build OpenMX with clangYuri010902018/09/11 11:19
by Yuri
NEGF vs Surface Green's function calculationEike F. Schwier011662018/09/06 12:44
by Eike F. Schwier
A question on vdW parameter ‘DFTD.IntDirection'ZHOU Jiaqi111092018/08/30 22:16
by T. Ozaki
errors in Indium PAO file?Tomonori Tanaka210412018/08/15 07:27
by Tomonori Tanaka
OpenMX Exchange coupling parameter: J per each orbitalJ.S.Feng216282018/08/14 12:02
by Hongkee Yoon
NEGF with gate voltage for molecular junctionsDongzhe Li112102018/08/07 17:33
by T. Ozaki
Fermi level dependence on basis setDechamps Samuel313022018/08/07 17:18
by T. Ozaki
work function with ESM modeljiang516922018/08/03 04:14
by jiang
Different total energy: X and Z periodicity tested with 1D carbon-chainDongzhe Li210062018/07/20 14:20
by Dongzhe Li
ERROR key=MD.Type The number of threads in each node for OpenMP parallelization is 1hashem.sina225762018/07/20 11:26
by Mitsuaki Kawamura
ERROR: PAOs of lead atoms can overlap only to the next nearest region.M.Sh213392018/07/20 08:10
by M.Sh
input files for periodic system under zero biasFrank312832018/07/15 12:00
by Frank
Unit in the exchange coupling calculationPui-Wai Ma110772018/07/11 05:28
by Pui-Wai Ma
convergence for ESM calculation with on2+EFjiang413062018/06/27 06:24
by jiang
error in make allsara.shafaei123582018/06/20 01:26
by Naoya Yamaguchi
calculations of Z2 and Chern numberWenliang Liu112472018/06/16 12:03
by T. Ozaki

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