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Topics Author Replies Views Last Modified
Bad convergence for calculations with an electric field Chen19262020/01/16 13:35
by Po-Hao
NEGF zgetrf failed errormasood08562020/01/14 03:56
by masood
Error in installing openmx with intel mpi compiler and mkl Chen519202020/01/13 18:07
by Chen
NEGF Convergence problemVikash411632020/01/09 18:53
by Vikash
The convergence of RFC5Alisa19622020/01/02 15:51
by T. Ozaki
Patch 3.9.1 to OpenMX Ver. 3.9T. Ozaki09072020/01/02 15:40
by T. Ozaki
formate of seed_name.AtomMulP genrated by kSpinUmar farooq1113882019/12/31 11:57
by Naoya Yamaguchi
NEGF calculation of OpenMX Ver 3.9Xingqiang SHI211152019/12/30 16:39
by Xingqiang SHI
Forces of same structure gotten from openmx are a lot different from that from vaspZuzhang Lin213222019/12/25 01:27
by Zuzhang Lin
Question about '.md2' file.Liu Jie49452019/12/23 15:30
by Liu Jie
Higher Bond length of Arsenous acidLovleen Kaur212632019/12/18 18:20
by T. Ozaki
which paramiter can control the maximum step?Liu Jie1011022019/12/18 12:01
by Liu Jie
pseudopotentials for ionsM Chen213282019/12/17 16:35
by Chen
How to obtain the initial charge?Liu Jie19762019/12/16 23:19
by T. Ozaki
Error when Installing 3.9 version kmaz110712019/12/11 22:53
by Mitsuaki Kawamura
Release of OpenMX Ver 3.9T. Ozaki211572019/12/11 21:33
by T. Ozaki
NEGF calculations converge to unphysical results when 2 leads are differentMaxim Visotin314272019/11/25 22:02
by Artem Pulkin
compiler error for Intel Compilers and MKL Libraryzhiying guo19632019/11/23 14:56
by Naoya Yamaguchi
Re: Installation of openmx in ubuntudeniz625832019/10/25 11:06
by Naoya Yamaguchi
SOLVED Bug on JX with Energy.Decomposition ONJhon W. Gonzalez211322019/10/20 11:04
by Jhon W. Gonzalez
(Maybe) fixing Vdw-d3(bj)Jhon W. Gonzalez322342019/10/16 13:41
by T. Ozaki
A sharing package for new version (2019) of PAO and VPSKylin011792019/10/06 09:25
by Kylin
stress calculationHoi110972019/09/21 11:35
by T. Ozaki
DFT+SOC --- bandgnu13 generates only BANDDAT1 file.Maedeh415052019/09/20 23:42
by Maedeh
nan error in optimization of Fe doped Arm chair graphene nano ribbonLovleen Kaur110762019/09/19 11:02
by Jhon W. Gonzalez
Nose-Hoover heat bath massPavel Ondracka115402019/09/16 12:49
by Naoya Yamaguchi
Compiling Jx executable in ubuntuAltan413132019/09/09 17:17
by Altan
orbital contributions of exchange coupling parametersBin Shao213392019/09/04 11:28
by Hongkee Yoon
Solvent modelLovleen Kaur09712019/09/02 18:22
by Lovleen Kaur
Understanding exchange coupling parameter calculationJhon W. Gonzalez011112019/08/30 07:26
by Jhon W. Gonzalez
optimization lattice constants of charged single layer 2d metallic materialsBin Shao010422019/08/27 14:03
by Bin Shao
Vdw-d3(bj) for 'band' calculationNikolai312122019/08/25 05:51
by Jhon W. Gonzalez
Mismatch DOS with conductance profile Devanand29592019/08/23 15:50
by Naoya Yamaguchi
How can we get the I-V curves with openmxRyoehi Nishioka212672019/08/22 16:17
by Ryoehi Nishioka
How to normalize charge density calculated from HOMO-LUMOEike F. Schwier718072019/08/21 20:07
by Eike F. Schwier
Very high noise and stoping calculationDouglas09152019/08/16 21:51
by Douglas
convergence problem (the last thread can not display correctly)Bin Shao312382019/08/07 14:22
by Naoya Yamaguchi
convergence problemBin Shao09892019/07/25 17:09
by Bin Shao
inconsistent magnetic solutions of bcc FeBin Shao210522019/07/24 17:51
by Bin Shao
NEB OptimizationReza19862019/07/23 17:31
by Naoya Yamaguchi
Questions about the magnetic moment in NEGF calculationsH Y ZHOU010162019/07/17 21:46
by H Y ZHOU
Negative charge on Al in Al-doped AGNRLovleen Kaur111562019/07/14 02:31
by Yung-Ting Lee
NEB QuestionReza010192019/07/05 00:31
by Reza
charge density Alisa213952019/07/03 16:58
by Yung-Ting
The problem difference charge density Alisa617582019/06/28 10:40
by Alisa
Elastic Constant of Cu - 6.0Hs3p3d3C. Pashartis212262019/06/21 20:14
by C. Pashartis
NEB output fileReza09302019/06/21 15:49
by Reza
Error in installationM.S329662019/06/15 06:44
by deniz
Hamiltonian matrix fileMaedeh520052019/06/08 05:12
by Maedeh
Questions about functionalsAleksey012242019/06/06 20:57
by Aleksey

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