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Topics Author Replies Views Last Modified
Release of OpenMX Ver 3.9T. Ozaki28842019/12/11 21:33
by T. Ozaki
NEGF calculations converge to unphysical results when 2 leads are differentMaxim Visotin311222019/11/25 22:02
by Artem Pulkin
compiler error for Intel Compilers and MKL Libraryzhiying guo17242019/11/23 14:56
by Naoya Yamaguchi
Re: Installation of openmx in ubuntudeniz620122019/10/25 11:06
by Naoya Yamaguchi
SOLVED Bug on JX with Energy.Decomposition ONJhon W. Gonzalez28792019/10/20 11:04
by Jhon W. Gonzalez
(Maybe) fixing Vdw-d3(bj)Jhon W. Gonzalez318442019/10/16 13:41
by T. Ozaki
A sharing package for new version (2019) of PAO and VPSKylin09032019/10/06 09:25
by Kylin
stress calculationHoi18452019/09/21 11:35
by T. Ozaki
DFT+SOC --- bandgnu13 generates only BANDDAT1 file.Maedeh411462019/09/20 23:42
by Maedeh
nan error in optimization of Fe doped Arm chair graphene nano ribbonLovleen Kaur18372019/09/19 11:02
by Jhon W. Gonzalez
Nose-Hoover heat bath massPavel Ondracka112152019/09/16 12:49
by Naoya Yamaguchi
Compiling Jx executable in ubuntuAltan410322019/09/09 17:17
by Altan
orbital contributions of exchange coupling parametersBin Shao210372019/09/04 11:28
by Hongkee Yoon
Solvent modelLovleen Kaur07362019/09/02 18:22
by Lovleen Kaur
Understanding exchange coupling parameter calculationJhon W. Gonzalez08342019/08/30 07:26
by Jhon W. Gonzalez
optimization lattice constants of charged single layer 2d metallic materialsBin Shao08002019/08/27 14:03
by Bin Shao
Vdw-d3(bj) for 'band' calculationNikolai39592019/08/25 05:51
by Jhon W. Gonzalez
Mismatch DOS with conductance profile Devanand27312019/08/23 15:50
by Naoya Yamaguchi
How can we get the I-V curves with openmxRyoehi Nishioka29392019/08/22 16:17
by Ryoehi Nishioka
How to normalize charge density calculated from HOMO-LUMOEike F. Schwier714502019/08/21 20:07
by Eike F. Schwier
Very high noise and stoping calculationDouglas06902019/08/16 21:51
by Douglas
convergence problem (the last thread can not display correctly)Bin Shao39652019/08/07 14:22
by Naoya Yamaguchi
convergence problemBin Shao07392019/07/25 17:09
by Bin Shao
inconsistent magnetic solutions of bcc FeBin Shao28092019/07/24 17:51
by Bin Shao
NEB OptimizationReza17512019/07/23 17:31
by Naoya Yamaguchi
Questions about the magnetic moment in NEGF calculationsH Y ZHOU07912019/07/17 21:46
by H Y ZHOU
Negative charge on Al in Al-doped AGNRLovleen Kaur18942019/07/14 02:31
by Yung-Ting Lee
NEB QuestionReza08002019/07/05 00:31
by Reza
charge density Alisa29582019/07/03 16:58
by Yung-Ting
The problem difference charge density Alisa612282019/06/28 10:40
by Alisa
Elastic Constant of Cu - 6.0Hs3p3d3C. Pashartis29272019/06/21 20:14
by C. Pashartis
NEB output fileReza07082019/06/21 15:49
by Reza
Error in installationM.S324852019/06/15 06:44
by deniz
Hamiltonian matrix fileMaedeh514772019/06/08 05:12
by Maedeh
Questions about functionalsAleksey09342019/06/06 20:57
by Aleksey
Some Suggestions about new versionReza110492019/05/30 05:57
by Po-Hao Chang
Installation of OpenMX in IUAC cluster server Vicky1411802019/05/30 02:54
by Naoya Yamaguchi
Cell optimization with Krylov subspace methodPavel Ondračka07852019/05/28 20:18
by Pavel Ondračka
GGA+Ureza08882019/05/23 18:45
by reza
convergence for ESM calculation with on4 in HfO2Z Jiang08682019/05/18 06:40
by Z Jiang
Zeeman term in the OpenMx is not working!Santu Baidya39142019/05/15 11:23
by Santu Baidya
Memory ConsumptionReza38052019/05/03 02:42
by Reza
SCFOUT Error - Hamiltonian incorrectly saved for MD.Type OptJ. Chapman1111742019/04/04 01:29
by J. Chapman
The problem of RF constrained optimization with patch 3.8.4 and 3.8.5Alisa49502019/03/27 00:40
by Naoya Yamaguchi
installation errorHaider Abbas511452019/03/15 05:12
by Naoya Yamaguchi
Error occurs when NEB calculation runs with DFT-D3Kunihiro Yananose29692019/03/05 13:57
by Kunihiro Yananose
Graphene Band CalculationsLovleen Kaur521522019/02/09 03:21
by Naoya Yamaguchi
How to apply periodic boundary conditionssanjeev413702019/02/08 23:03
by Kylin
JRCAT 244p and JAIST 2122pJ. Chapman19852019/01/29 19:15
by Naoya Yamaguchi
NEGF for a thin filmSachin09122018/12/26 23:49
by Sachin

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