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Topics Author Replies Views Last Modified
Forces of same structure gotten from openmx are a lot different from that from vaspZuzhang Lin24712019/12/25 01:27
by Zuzhang Lin
Question about '.md2' file.Liu Jie43532019/12/23 15:30
by Liu Jie
Higher Bond length of Arsenous acidLovleen Kaur25922019/12/18 18:20
by T. Ozaki
which paramiter can control the maximum step?Liu Jie104802019/12/18 12:01
by Liu Jie
pseudopotentials for ionsM Chen25732019/12/17 16:35
by Chen
How to obtain the initial charge?Liu Jie14032019/12/16 23:19
by T. Ozaki
Error when Installing 3.9 version kmaz14742019/12/11 22:53
by Mitsuaki Kawamura
Release of OpenMX Ver 3.9T. Ozaki24922019/12/11 21:33
by T. Ozaki
NEGF calculations converge to unphysical results when 2 leads are differentMaxim Visotin36892019/11/25 22:02
by Artem Pulkin
compiler error for Intel Compilers and MKL Libraryzhiying guo13772019/11/23 14:56
by Naoya Yamaguchi
Re: Installation of openmx in ubuntudeniz611792019/10/25 11:06
by Naoya Yamaguchi
SOLVED Bug on JX with Energy.Decomposition ONJhon W. Gonzalez25102019/10/20 11:04
by Jhon W. Gonzalez
(Maybe) fixing Vdw-d3(bj)Jhon W. Gonzalez310632019/10/16 13:41
by T. Ozaki
A sharing package for new version (2019) of PAO and VPSKylin05292019/10/06 09:25
by Kylin
stress calculationHoi14932019/09/21 11:35
by T. Ozaki
DFT+SOC --- bandgnu13 generates only BANDDAT1 file.Maedeh46672019/09/20 23:42
by Maedeh
nan error in optimization of Fe doped Arm chair graphene nano ribbonLovleen Kaur14872019/09/19 11:02
by Jhon W. Gonzalez
Nose-Hoover heat bath massPavel Ondracka16912019/09/16 12:49
by Naoya Yamaguchi
Compiling Jx executable in ubuntuAltan45752019/09/09 17:17
by Altan
orbital contributions of exchange coupling parametersBin Shao26142019/09/04 11:28
by Hongkee Yoon
Solvent modelLovleen Kaur03672019/09/02 18:22
by Lovleen Kaur
Understanding exchange coupling parameter calculationJhon W. Gonzalez04582019/08/30 07:26
by Jhon W. Gonzalez
optimization lattice constants of charged single layer 2d metallic materialsBin Shao04472019/08/27 14:03
by Bin Shao
Vdw-d3(bj) for 'band' calculationNikolai36012019/08/25 05:51
by Jhon W. Gonzalez
Mismatch DOS with conductance profile Devanand24132019/08/23 15:50
by Naoya Yamaguchi
How can we get the I-V curves with openmxRyoehi Nishioka25362019/08/22 16:17
by Ryoehi Nishioka
How to normalize charge density calculated from HOMO-LUMOEike F. Schwier79082019/08/21 20:07
by Eike F. Schwier
Very high noise and stoping calculationDouglas03712019/08/16 21:51
by Douglas
convergence problem (the last thread can not display correctly)Bin Shao35932019/08/07 14:22
by Naoya Yamaguchi
convergence problemBin Shao04092019/07/25 17:09
by Bin Shao
inconsistent magnetic solutions of bcc FeBin Shao24672019/07/24 17:51
by Bin Shao
NEB OptimizationReza14102019/07/23 17:31
by Naoya Yamaguchi
Questions about the magnetic moment in NEGF calculationsH Y ZHOU04552019/07/17 21:46
by H Y ZHOU
Negative charge on Al in Al-doped AGNRLovleen Kaur15282019/07/14 02:31
by Yung-Ting Lee
NEB QuestionReza04482019/07/05 00:31
by Reza
charge density Alisa25322019/07/03 16:58
by Yung-Ting
The problem difference charge density Alisa66182019/06/28 10:40
by Alisa
Elastic Constant of Cu - 6.0Hs3p3d3C. Pashartis25672019/06/21 20:14
by C. Pashartis
NEB output fileReza03702019/06/21 15:49
by Reza
Error in installationM.S316252019/06/15 06:44
by deniz
Hamiltonian matrix fileMaedeh57642019/06/08 05:12
by Maedeh
Questions about functionalsAleksey05502019/06/06 20:57
by Aleksey
Some Suggestions about new versionReza16352019/05/30 05:57
by Po-Hao Chang
Installation of OpenMX in IUAC cluster server Vicky146282019/05/30 02:54
by Naoya Yamaguchi
Cell optimization with Krylov subspace methodPavel Ondračka04352019/05/28 20:18
by Pavel Ondračka
GGA+Ureza04922019/05/23 18:45
by reza
convergence for ESM calculation with on4 in HfO2Z Jiang05242019/05/18 06:40
by Z Jiang
Zeeman term in the OpenMx is not working!Santu Baidya35672019/05/15 11:23
by Santu Baidya
Memory ConsumptionReza34802019/05/03 02:42
by Reza
SCFOUT Error - Hamiltonian incorrectly saved for MD.Type OptJ. Chapman117462019/04/04 01:29
by J. Chapman

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