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Topics Author Replies Views Last Modified
DosMain issue in metal-graphene heterostructures Samuel Dechamps11322020/01/25 13:51
by T. Ozaki
cygwin_exception::open_stackdumpfile: Dumping stackmasood26262020/01/22 02:05
by masood
core dumped in the exchange coupling calculation (Jx) for Mn12 Po-Hao 21682020/01/20 16:07
by Asako Terasawa
LzSz only spin-orbit coupling in collinear spin calculation?Asako Terasawa72362020/01/19 22:41
by Alireza Baradaran
Error in compiling openmx3.9Xiaoxiong22852020/01/18 16:31
by Xiaoxiong
Cannot finish the NEGF testrunK. Yamaguchi41922020/01/18 12:34
by T. Ozaki
error installation in openmx3.9Alireza Baradaran11392020/01/18 00:30
by Alireza Baradaran
Problem with jx in ver 3.9.1Zsolt51822020/01/17 11:29
by Asako Terasawa
Bad convergence for calculations with an electric field Chen11152020/01/16 13:35
by Po-Hao
NEGF zgetrf failed errormasood01202020/01/14 03:56
by masood
Error in installing openmx with intel mpi compiler and mkl Chen52372020/01/13 18:07
by Chen
NEGF Convergence problemVikash42312020/01/09 18:53
by Vikash
The convergence of RFC5Alisa11472020/01/02 15:51
by T. Ozaki
Patch 3.9.1 to OpenMX Ver. 3.9T. Ozaki01372020/01/02 15:40
by T. Ozaki
formate of seed_name.AtomMulP genrated by kSpinUmar farooq112652019/12/31 11:57
by Naoya Yamaguchi
NEGF calculation of OpenMX Ver 3.9Xingqiang SHI21832019/12/30 16:39
by Xingqiang SHI
Forces of same structure gotten from openmx are a lot different from that from vaspZuzhang Lin21932019/12/25 01:27
by Zuzhang Lin
Question about '.md2' file.Liu Jie41552019/12/23 15:30
by Liu Jie
Higher Bond length of Arsenous acidLovleen Kaur23092019/12/18 18:20
by T. Ozaki
which paramiter can control the maximum step?Liu Jie102242019/12/18 12:01
by Liu Jie
pseudopotentials for ionsM Chen22702019/12/17 16:35
by Chen
How to obtain the initial charge?Liu Jie11712019/12/16 23:19
by T. Ozaki
Error when Installing 3.9 version kmaz12162019/12/11 22:53
by Mitsuaki Kawamura
Release of OpenMX Ver 3.9T. Ozaki22712019/12/11 21:33
by T. Ozaki
NEGF calculations converge to unphysical results when 2 leads are differentMaxim Visotin33632019/11/25 22:02
by Artem Pulkin
compiler error for Intel Compilers and MKL Libraryzhiying guo11802019/11/23 14:56
by Naoya Yamaguchi
Re: Installation of openmx in ubuntudeniz65832019/10/25 11:06
by Naoya Yamaguchi
SOLVED Bug on JX with Energy.Decomposition ONJhon W. Gonzalez22342019/10/20 11:04
by Jhon W. Gonzalez
(Maybe) fixing Vdw-d3(bj)Jhon W. Gonzalez33572019/10/16 13:41
by T. Ozaki
A sharing package for new version (2019) of PAO and VPSKylin02462019/10/06 09:25
by Kylin
stress calculationHoi12442019/09/21 11:35
by T. Ozaki
DFT+SOC --- bandgnu13 generates only BANDDAT1 file.Maedeh42912019/09/20 23:42
by Maedeh
nan error in optimization of Fe doped Arm chair graphene nano ribbonLovleen Kaur12192019/09/19 11:02
by Jhon W. Gonzalez
Nose-Hoover heat bath massPavel Ondracka12512019/09/16 12:49
by Naoya Yamaguchi
Compiling Jx executable in ubuntuAltan42492019/09/09 17:17
by Altan
orbital contributions of exchange coupling parametersBin Shao23232019/09/04 11:28
by Hongkee Yoon
Solvent modelLovleen Kaur01722019/09/02 18:22
by Lovleen Kaur
Understanding exchange coupling parameter calculationJhon W. Gonzalez02152019/08/30 07:26
by Jhon W. Gonzalez
optimization lattice constants of charged single layer 2d metallic materialsBin Shao02342019/08/27 14:03
by Bin Shao
Vdw-d3(bj) for 'band' calculationNikolai33782019/08/25 05:51
by Jhon W. Gonzalez
Mismatch DOS with conductance profile Devanand21972019/08/23 15:50
by Naoya Yamaguchi
How can we get the I-V curves with openmxRyoehi Nishioka22562019/08/22 16:17
by Ryoehi Nishioka
How to normalize charge density calculated from HOMO-LUMOEike F. Schwier74982019/08/21 20:07
by Eike F. Schwier
Very high noise and stoping calculationDouglas01632019/08/16 21:51
by Douglas
convergence problem (the last thread can not display correctly)Bin Shao32852019/08/07 14:22
by Naoya Yamaguchi
convergence problemBin Shao01882019/07/25 17:09
by Bin Shao
inconsistent magnetic solutions of bcc FeBin Shao22432019/07/24 17:51
by Bin Shao
NEB OptimizationReza12022019/07/23 17:31
by Naoya Yamaguchi
Questions about the magnetic moment in NEGF calculationsH Y ZHOU02312019/07/17 21:46
by H Y ZHOU
Negative charge on Al in Al-doped AGNRLovleen Kaur12702019/07/14 02:31
by Yung-Ting Lee

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