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

List of Threads

Topics Author Replies Views Last Modified
Forces of same structure gotten from openmx are a lot different from that from vaspZuzhang Lin23262019/12/25 01:27
by Zuzhang Lin
Question about '.md2' file.Liu Jie42472019/12/23 15:30
by Liu Jie
Higher Bond length of Arsenous acidLovleen Kaur24562019/12/18 18:20
by T. Ozaki
which paramiter can control the maximum step?Liu Jie103642019/12/18 12:01
by Liu Jie
pseudopotentials for ionsM Chen24102019/12/17 16:35
by Chen
How to obtain the initial charge?Liu Jie12862019/12/16 23:19
by T. Ozaki
Error when Installing 3.9 version kmaz13422019/12/11 22:53
by Mitsuaki Kawamura
Release of OpenMX Ver 3.9T. Ozaki23752019/12/11 21:33
by T. Ozaki
NEGF calculations converge to unphysical results when 2 leads are differentMaxim Visotin35002019/11/25 22:02
by Artem Pulkin
compiler error for Intel Compilers and MKL Libraryzhiying guo12722019/11/23 14:56
by Naoya Yamaguchi
Re: Installation of openmx in ubuntudeniz69122019/10/25 11:06
by Naoya Yamaguchi
SOLVED Bug on JX with Energy.Decomposition ONJhon W. Gonzalez23492019/10/20 11:04
by Jhon W. Gonzalez
(Maybe) fixing Vdw-d3(bj)Jhon W. Gonzalez38102019/10/16 13:41
by T. Ozaki
A sharing package for new version (2019) of PAO and VPSKylin03822019/10/06 09:25
by Kylin
stress calculationHoi13602019/09/21 11:35
by T. Ozaki
DFT+SOC --- bandgnu13 generates only BANDDAT1 file.Maedeh44742019/09/20 23:42
by Maedeh
nan error in optimization of Fe doped Arm chair graphene nano ribbonLovleen Kaur13642019/09/19 11:02
by Jhon W. Gonzalez
Nose-Hoover heat bath massPavel Ondracka14562019/09/16 12:49
by Naoya Yamaguchi
Compiling Jx executable in ubuntuAltan43812019/09/09 17:17
by Altan
orbital contributions of exchange coupling parametersBin Shao24622019/09/04 11:28
by Hongkee Yoon
Solvent modelLovleen Kaur02582019/09/02 18:22
by Lovleen Kaur
Understanding exchange coupling parameter calculationJhon W. Gonzalez03292019/08/30 07:26
by Jhon W. Gonzalez
optimization lattice constants of charged single layer 2d metallic materialsBin Shao03402019/08/27 14:03
by Bin Shao
Vdw-d3(bj) for 'band' calculationNikolai34812019/08/25 05:51
by Jhon W. Gonzalez
Mismatch DOS with conductance profile Devanand22922019/08/23 15:50
by Naoya Yamaguchi
How can we get the I-V curves with openmxRyoehi Nishioka23792019/08/22 16:17
by Ryoehi Nishioka
How to normalize charge density calculated from HOMO-LUMOEike F. Schwier76822019/08/21 20:07
by Eike F. Schwier
Very high noise and stoping calculationDouglas02612019/08/16 21:51
by Douglas
convergence problem (the last thread can not display correctly)Bin Shao34232019/08/07 14:22
by Naoya Yamaguchi
convergence problemBin Shao02872019/07/25 17:09
by Bin Shao
inconsistent magnetic solutions of bcc FeBin Shao23382019/07/24 17:51
by Bin Shao
NEB OptimizationReza12912019/07/23 17:31
by Naoya Yamaguchi
Questions about the magnetic moment in NEGF calculationsH Y ZHOU03322019/07/17 21:46
by H Y ZHOU
Negative charge on Al in Al-doped AGNRLovleen Kaur13882019/07/14 02:31
by Yung-Ting Lee
NEB QuestionReza03192019/07/05 00:31
by Reza
charge density Alisa23852019/07/03 16:58
by Yung-Ting
The problem difference charge density Alisa64682019/06/28 10:40
by Alisa
Elastic Constant of Cu - 6.0Hs3p3d3C. Pashartis24102019/06/21 20:14
by C. Pashartis
NEB output fileReza02832019/06/21 15:49
by Reza
Error in installationM.S312992019/06/15 06:44
by deniz
Hamiltonian matrix fileMaedeh56102019/06/08 05:12
by Maedeh
Questions about functionalsAleksey04192019/06/06 20:57
by Aleksey
Some Suggestions about new versionReza14992019/05/30 05:57
by Po-Hao Chang
Installation of OpenMX in IUAC cluster server Vicky145012019/05/30 02:54
by Naoya Yamaguchi
Cell optimization with Krylov subspace methodPavel Ondračka03082019/05/28 20:18
by Pavel Ondračka
GGA+Ureza03612019/05/23 18:45
by reza
convergence for ESM calculation with on4 in HfO2Z Jiang03922019/05/18 06:40
by Z Jiang
Zeeman term in the OpenMx is not working!Santu Baidya34352019/05/15 11:23
by Santu Baidya
Memory ConsumptionReza33542019/05/03 02:42
by Reza
SCFOUT Error - Hamiltonian incorrectly saved for MD.Type OptJ. Chapman115742019/04/04 01:29
by J. Chapman

Page: [1] [2] [3] [4] [5] [6] [7] [8] [9] [10] [11] [12] [13] [14] [15] [16] [17] [18] [19] [20] [21] [22] [23] [24]


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


- Web Patio -