OpenMX Forum
New Thread | Return Home | Mailing List | Points of Concern | Search | Past Log | Administration    

List of Threads

Topics Author Replies Views Last Modified
Error when Installing 3.9 version kmaz11662019/12/11 22:53
by Mitsuaki Kawamura
Release of OpenMX Ver 3.9T. Ozaki22232019/12/11 21:33
by T. Ozaki
NEGF calculations converge to unphysical results when 2 leads are differentMaxim Visotin33082019/11/25 22:02
by Artem Pulkin
compiler error for Intel Compilers and MKL Libraryzhiying guo11422019/11/23 14:56
by Naoya Yamaguchi
Re: Installation of openmx in ubuntudeniz64462019/10/25 11:06
by Naoya Yamaguchi
SOLVED Bug on JX with Energy.Decomposition ONJhon W. Gonzalez21942019/10/20 11:04
by Jhon W. Gonzalez
(Maybe) fixing Vdw-d3(bj)Jhon W. Gonzalez32392019/10/16 13:41
by T. Ozaki
A sharing package for new version (2019) of PAO and VPSKylin01912019/10/06 09:25
by Kylin
stress calculationHoi12082019/09/21 11:35
by T. Ozaki
DFT+SOC --- bandgnu13 generates only BANDDAT1 file.Maedeh42422019/09/20 23:42
by Maedeh
nan error in optimization of Fe doped Arm chair graphene nano ribbonLovleen Kaur11852019/09/19 11:02
by Jhon W. Gonzalez
Nose-Hoover heat bath massPavel Ondracka12002019/09/16 12:49
by Naoya Yamaguchi
Compiling Jx executable in ubuntuAltan42092019/09/09 17:17
by Altan
orbital contributions of exchange coupling parametersBin Shao22782019/09/04 11:28
by Hongkee Yoon
Solvent modelLovleen Kaur01382019/09/02 18:22
by Lovleen Kaur
Understanding exchange coupling parameter calculationJhon W. Gonzalez01702019/08/30 07:26
by Jhon W. Gonzalez
optimization lattice constants of charged single layer 2d metallic materialsBin Shao02022019/08/27 14:03
by Bin Shao
Vdw-d3(bj) for 'band' calculationNikolai33352019/08/25 05:51
by Jhon W. Gonzalez
Mismatch DOS with conductance profile Devanand21612019/08/23 15:50
by Naoya Yamaguchi
How can we get the I-V curves with openmxRyoehi Nishioka22182019/08/22 16:17
by Ryoehi Nishioka
How to normalize charge density calculated from HOMO-LUMOEike F. Schwier74402019/08/21 20:07
by Eike F. Schwier
Very high noise and stoping calculationDouglas01292019/08/16 21:51
by Douglas
convergence problem (the last thread can not display correctly)Bin Shao32332019/08/07 14:22
by Naoya Yamaguchi
convergence problemBin Shao01542019/07/25 17:09
by Bin Shao
inconsistent magnetic solutions of bcc FeBin Shao22092019/07/24 17:51
by Bin Shao
NEB OptimizationReza11672019/07/23 17:31
by Naoya Yamaguchi
Questions about the magnetic moment in NEGF calculationsH Y ZHOU01992019/07/17 21:46
by H Y ZHOU
Negative charge on Al in Al-doped AGNRLovleen Kaur12162019/07/14 02:31
by Yung-Ting Lee
NEB QuestionReza01862019/07/05 00:31
by Reza
charge density Alisa22132019/07/03 16:58
by Yung-Ting
The problem difference charge density Alisa62602019/06/28 10:40
by Alisa
Elastic Constant of Cu - 6.0Hs3p3d3C. Pashartis22452019/06/21 20:14
by C. Pashartis
NEB output fileReza01642019/06/21 15:49
by Reza
Error in installationM.S37902019/06/15 06:44
by deniz
Hamiltonian matrix fileMaedeh54242019/06/08 05:12
by Maedeh
Questions about functionalsAleksey02382019/06/06 20:57
by Aleksey
Some Suggestions about new versionReza13302019/05/30 05:57
by Po-Hao Chang
Installation of OpenMX in IUAC cluster server Vicky143302019/05/30 02:54
by Naoya Yamaguchi
Cell optimization with Krylov subspace methodPavel Ondračka01862019/05/28 20:18
by Pavel Ondračka
GGA+Ureza02142019/05/23 18:45
by reza
convergence for ESM calculation with on4 in HfO2Z Jiang02192019/05/18 06:40
by Z Jiang
Zeeman term in the OpenMx is not working!Santu Baidya32602019/05/15 11:23
by Santu Baidya
Memory ConsumptionReza32222019/05/03 02:42
by Reza
SCFOUT Error - Hamiltonian incorrectly saved for MD.Type OptJ. Chapman113662019/04/04 01:29
by J. Chapman
The problem of RF constrained optimization with patch 3.8.4 and 3.8.5Alisa42692019/03/27 00:40
by Naoya Yamaguchi
installation errorHaider Abbas53322019/03/15 05:12
by Naoya Yamaguchi
Error occurs when NEB calculation runs with DFT-D3Kunihiro Yananose23012019/03/05 13:57
by Kunihiro Yananose
Graphene Band CalculationsLovleen Kaur56692019/02/09 03:21
by Naoya Yamaguchi
How to apply periodic boundary conditionssanjeev44082019/02/08 23:03
by Kylin
JRCAT 244p and JAIST 2122pJ. Chapman13322019/01/29 19:15
by Naoya Yamaguchi

Page: [1] [2] [3] [4] [5] [6] [7] [8] [9] [10] [11] [12] [13] [14] [15] [16] [17] [18] [19] [20] [21] [22]


Open Thread    Locked Thread    Alarm(More than 180 replies)   Message from Administrator


- Web Patio -