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Topics Author Replies Views Last Modified
ASE-OPENMX for NEB calculationReza22502020/03/08 08:51
by T. Ozaki
scissors correction in the optics calculationsJian Zhou21822020/03/05 00:16
by Jian Zhou
Noisy output for sden.cube fileMaedeh52112020/03/04 17:02
by Maedeh
installation error OpenMX ver 3.9Maedeh8518642020/02/26 13:12
by Naoya Yamaguchi
How to read *.scfout file?Zafer Kandemir22502020/02/22 18:27
by Zafer Kandemir
Difference in the total charge density from ESM on4Alia Mejri11702020/02/22 00:01
by T. Ozaki
Fermi level is not set to zero noopur22312020/02/19 20:23
by T. Ozaki
Patch 3.9.2 to OpenMX Ver. 3.9T. Ozaki02322020/02/11 22:44
by T. Ozaki
NEGF convergence making loopVikash22372020/02/07 01:02
by T. Ozaki
Mailing list for the OpenMX ForumT. Ozaki02092020/02/06 23:09
by T. Ozaki
NEB simulationYuki Kamikawa22182020/01/30 21:00
by Yuki Kamikawa
NEB memory and parallel problemsReza62462020/01/29 00:41
by T. Ozaki
DosMain issue in metal-graphene heterostructures Samuel Dechamps12052020/01/25 13:51
by T. Ozaki
cygwin_exception::open_stackdumpfile: Dumping stackmasood217002020/01/22 02:05
by masood
core dumped in the exchange coupling calculation (Jx) for Mn12 Po-Hao 22502020/01/20 16:07
by Asako Terasawa
LzSz only spin-orbit coupling in collinear spin calculation?Asako Terasawa73292020/01/19 22:41
by Alireza Baradaran
Error in compiling openmx3.9Xiaoxiong24842020/01/18 16:31
by Xiaoxiong
Cannot finish the NEGF testrunK. Yamaguchi43172020/01/18 12:34
by T. Ozaki
error installation in openmx3.9Alireza Baradaran12062020/01/18 00:30
by Alireza Baradaran
Problem with jx in ver 3.9.1Zsolt52822020/01/17 11:29
by Asako Terasawa
Bad convergence for calculations with an electric field Chen11832020/01/16 13:35
by Po-Hao
NEGF zgetrf failed errormasood01772020/01/14 03:56
by masood
Error in installing openmx with intel mpi compiler and mkl Chen53942020/01/13 18:07
by Chen
NEGF Convergence problemVikash43192020/01/09 18:53
by Vikash
The convergence of RFC5Alisa12172020/01/02 15:51
by T. Ozaki
Patch 3.9.1 to OpenMX Ver. 3.9T. Ozaki02102020/01/02 15:40
by T. Ozaki
formate of seed_name.AtomMulP genrated by kSpinUmar farooq113412019/12/31 11:57
by Naoya Yamaguchi
NEGF calculation of OpenMX Ver 3.9Xingqiang SHI22652019/12/30 16:39
by Xingqiang SHI
Forces of same structure gotten from openmx are a lot different from that from vaspZuzhang Lin22702019/12/25 01:27
by Zuzhang Lin
Question about '.md2' file.Liu Jie42102019/12/23 15:30
by Liu Jie
Higher Bond length of Arsenous acidLovleen Kaur24012019/12/18 18:20
by T. Ozaki
which paramiter can control the maximum step?Liu Jie103132019/12/18 12:01
by Liu Jie
pseudopotentials for ionsM Chen23652019/12/17 16:35
by Chen
How to obtain the initial charge?Liu Jie12452019/12/16 23:19
by T. Ozaki
Error when Installing 3.9 version kmaz12972019/12/11 22:53
by Mitsuaki Kawamura
Release of OpenMX Ver 3.9T. Ozaki23362019/12/11 21:33
by T. Ozaki
NEGF calculations converge to unphysical results when 2 leads are differentMaxim Visotin34482019/11/25 22:02
by Artem Pulkin
compiler error for Intel Compilers and MKL Libraryzhiying guo12392019/11/23 14:56
by Naoya Yamaguchi
Re: Installation of openmx in ubuntudeniz68012019/10/25 11:06
by Naoya Yamaguchi
SOLVED Bug on JX with Energy.Decomposition ONJhon W. Gonzalez22982019/10/20 11:04
by Jhon W. Gonzalez
(Maybe) fixing Vdw-d3(bj)Jhon W. Gonzalez37562019/10/16 13:41
by T. Ozaki
A sharing package for new version (2019) of PAO and VPSKylin03322019/10/06 09:25
by Kylin
stress calculationHoi13172019/09/21 11:35
by T. Ozaki
DFT+SOC --- bandgnu13 generates only BANDDAT1 file.Maedeh44182019/09/20 23:42
by Maedeh
nan error in optimization of Fe doped Arm chair graphene nano ribbonLovleen Kaur13222019/09/19 11:02
by Jhon W. Gonzalez
Nose-Hoover heat bath massPavel Ondracka13732019/09/16 12:49
by Naoya Yamaguchi
Compiling Jx executable in ubuntuAltan43362019/09/09 17:17
by Altan
orbital contributions of exchange coupling parametersBin Shao24062019/09/04 11:28
by Hongkee Yoon
Solvent modelLovleen Kaur02322019/09/02 18:22
by Lovleen Kaur
Understanding exchange coupling parameter calculationJhon W. Gonzalez02852019/08/30 07:26
by Jhon W. Gonzalez

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