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Topics Author Replies Views Last Modified
NEB QuestionReza02162019/07/05 00:31
by Reza
charge density Alisa22592019/07/03 16:58
by Yung-Ting
The problem difference charge density Alisa63192019/06/28 10:40
by Alisa
Elastic Constant of Cu - 6.0Hs3p3d3C. Pashartis22852019/06/21 20:14
by C. Pashartis
NEB output fileReza01932019/06/21 15:49
by Reza
Error in installationM.S39062019/06/15 06:44
by deniz
Hamiltonian matrix fileMaedeh54782019/06/08 05:12
by Maedeh
Questions about functionalsAleksey02802019/06/06 20:57
by Aleksey
Some Suggestions about new versionReza13792019/05/30 05:57
by Po-Hao Chang
Installation of OpenMX in IUAC cluster server Vicky143732019/05/30 02:54
by Naoya Yamaguchi
Cell optimization with Krylov subspace methodPavel Ondračka02232019/05/28 20:18
by Pavel Ondračka
GGA+Ureza02482019/05/23 18:45
by reza
convergence for ESM calculation with on4 in HfO2Z Jiang02542019/05/18 06:40
by Z Jiang
Zeeman term in the OpenMx is not working!Santu Baidya33142019/05/15 11:23
by Santu Baidya
Memory ConsumptionReza32512019/05/03 02:42
by Reza
SCFOUT Error - Hamiltonian incorrectly saved for MD.Type OptJ. Chapman114302019/04/04 01:29
by J. Chapman
The problem of RF constrained optimization with patch 3.8.4 and 3.8.5Alisa43092019/03/27 00:40
by Naoya Yamaguchi
installation errorHaider Abbas53882019/03/15 05:12
by Naoya Yamaguchi
Error occurs when NEB calculation runs with DFT-D3Kunihiro Yananose23322019/03/05 13:57
by Kunihiro Yananose
Graphene Band CalculationsLovleen Kaur57872019/02/09 03:21
by Naoya Yamaguchi
How to apply periodic boundary conditionssanjeev44722019/02/08 23:03
by Kylin
JRCAT 244p and JAIST 2122pJ. Chapman13632019/01/29 19:15
by Naoya Yamaguchi
NEGF for a thin filmSachin03322018/12/26 23:49
by Sachin
negf optimizationmath02742018/12/26 18:25
by math
Anomalies in bandstructure of NdAlO3Aleksey13582018/12/18 08:46
by Aleksey
Controlling SOC strengthjhong66132018/11/27 15:09
by jhong
The output file is not updatedxuemei02602018/11/26 10:38
by xuemei
The problems of constrained optimization with EFxm44352018/11/20 23:23
by xm
The problem about NEGF calculationWeiqi Li44632018/11/08 17:03
by Weiqi Li
PAO questionWeiqi Li13742018/11/07 18:22
by Weiqi Li
projected direction in pdosMaedeh03052018/10/18 02:20
by Maedeh
transition probability calculation for metal cluster (rare metal)Manabu Inukai23452018/10/17 14:48
by Manabu Inukai
Electric field perpendicular to 2D materialssabike14922018/10/13 00:54
by Po-Hao
convergence of optimizationsabike25182018/10/11 23:07
by sabike
How to calculate charge density and deformation charge density with openmxxm04312018/10/11 09:17
by xm
compilation error: openmx 3.8Renato 1111762018/10/11 02:35
by Renato
planar-averaged electrostatic potential Po-Hao516062018/10/09 12:00
by Naoya Yamaguchi
Transport direction in 2D slab NEGF calculationZHOU Jiaqi04332018/09/28 14:59
by ZHOU Jiaqi
transport direction for thin filmPrashant46402018/09/14 12:57
by Prashant
Vacancy study with OpenMxSamuel Dechamps14202018/09/13 13:00
by Naoya Yamaguchi
Patches to apply to build OpenMX with clangYuri03772018/09/11 11:19
by Yuri
NEGF vs Surface Green's function calculationEike F. Schwier04562018/09/06 12:44
by Eike F. Schwier
A question on vdW parameter ‘DFTD.IntDirection'ZHOU Jiaqi13452018/08/30 22:16
by T. Ozaki
errors in Indium PAO file?Tomonori Tanaka24322018/08/15 07:27
by Tomonori Tanaka
OpenMX Exchange coupling parameter: J per each orbitalJ.S.Feng27742018/08/14 12:02
by Hongkee Yoon
NEGF with gate voltage for molecular junctionsDongzhe Li14572018/08/07 17:33
by T. Ozaki
Fermi level dependence on basis setDechamps Samuel35222018/08/07 17:18
by T. Ozaki
work function with ESM modeljiang56012018/08/03 04:14
by jiang
Different total energy: X and Z periodicity tested with 1D carbon-chainDongzhe Li23812018/07/20 14:20
by Dongzhe Li
ERROR key=MD.Type The number of threads in each node for OpenMP parallelization is 1hashem.sina24082018/07/20 11:26
by Mitsuaki Kawamura

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