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installation error OpenMX ver 3.9
Maedeh
85
4321
2020/02/26 13:12
by Naoya Yamaguchi
How to read *.scfout file?
Zafer Kandemir
2
560
2020/02/22 18:27
by Zafer Kandemir
Difference in the total charge density from ESM on4
Alia Mejri
1
431
2020/02/22 00:01
by T. Ozaki
Fermi level is not set to zero
noopur
2
619
2020/02/19 20:23
by T. Ozaki
Zeeman term in the OpenMx3.9 have problem
Umar farooq
4
599
2020/02/12 19:33
by Umar farooq
Patch 3.9.2 to OpenMX Ver. 3.9
T. Ozaki
0
476
2020/02/11 22:44
by T. Ozaki
NEGF convergence making loop
Vikash
2
501
2020/02/07 01:02
by T. Ozaki
Mailing list for the OpenMX Forum
T. Ozaki
0
440
2020/02/06 23:09
by T. Ozaki
NEB simulation
Yuki Kamikawa
2
468
2020/01/30 21:00
by Yuki Kamikawa
NEB memory and parallel problems
Reza
6
516
2020/01/29 00:41
by T. Ozaki
DosMain issue in metal-graphene heterostructures
Samuel Dechamps
1
441
2020/01/25 13:51
by T. Ozaki
cygwin_exception::open_stackdumpfile: Dumping stack
masood
2
4675
2020/01/22 02:05
by masood
core dumped in the exchange coupling calculation (Jx) for Mn12
Po-Hao
2
564
2020/01/20 16:07
by Asako Terasawa
LzSz only spin-orbit coupling in collinear spin calculation?
Asako Terasawa
7
697
2020/01/19 22:41
by Alireza Baradaran
Error in compiling openmx3.9
Xiaoxiong
2
1231
2020/01/18 16:31
by Xiaoxiong
Cannot finish the NEGF testrun
K. Yamaguchi
4
735
2020/01/18 12:34
by T. Ozaki
error installation in openmx3.9
Alireza Baradaran
1
489
2020/01/18 00:30
by Alireza Baradaran
Problem with jx in ver 3.9.1
Zsolt
5
609
2020/01/17 11:29
by Asako Terasawa
Bad convergence for calculations with an electric field
Chen
1
429
2020/01/16 13:35
by Po-Hao
NEGF zgetrf failed error
masood
0
415
2020/01/14 03:56
by masood
Error in installing openmx with intel mpi compiler and mkl
Chen
5
1017
2020/01/13 18:07
by Chen
NEGF Convergence problem
Vikash
4
629
2020/01/09 18:53
by Vikash
The convergence of RFC5
Alisa
1
478
2020/01/02 15:51
by T. Ozaki
Patch 3.9.1 to OpenMX Ver. 3.9
T. Ozaki
0
435
2020/01/02 15:40
by T. Ozaki
formate of seed_name.AtomMulP genrated by kSpin
Umar farooq
11
652
2019/12/31 11:57
by Naoya Yamaguchi
NEGF calculation of OpenMX Ver 3.9
Xingqiang SHI
2
564
2019/12/30 16:39
by Xingqiang SHI
Forces of same structure gotten from openmx are a lot different from that from vasp
Zuzhang Lin
2
571
2019/12/25 01:27
by Zuzhang Lin
Question about '.md2' file.
Liu Jie
4
434
2019/12/23 15:30
by Liu Jie
Higher Bond length of Arsenous acid
Lovleen Kaur
2
702
2019/12/18 18:20
by T. Ozaki
which paramiter can control the maximum step?
Liu Jie
10
570
2019/12/18 12:01
by Liu Jie
pseudopotentials for ions
M Chen
2
712
2019/12/17 16:35
by Chen
How to obtain the initial charge?
Liu Jie
1
502
2019/12/16 23:19
by T. Ozaki
Error when Installing 3.9 version
kmaz
1
573
2019/12/11 22:53
by Mitsuaki Kawamura
Release of OpenMX Ver 3.9
T. Ozaki
2
600
2019/12/11 21:33
by T. Ozaki
NEGF calculations converge to unphysical results when 2 leads are different
Maxim Visotin
3
833
2019/11/25 22:02
by Artem Pulkin
compiler error for Intel Compilers and MKL Library
zhiying guo
1
483
2019/11/23 14:56
by Naoya Yamaguchi
Re: Installation of openmx in ubuntu
deniz
6
1395
2019/10/25 11:06
by Naoya Yamaguchi
SOLVED Bug on JX with Energy.Decomposition ON
Jhon W. Gonzalez
2
614
2019/10/20 11:04
by Jhon W. Gonzalez
(Maybe) fixing Vdw-d3(bj)
Jhon W. Gonzalez
3
1276
2019/10/16 13:41
by T. Ozaki
A sharing package for new version (2019) of PAO and VPS
Kylin
0
621
2019/10/06 09:25
by Kylin
stress calculation
Hoi
1
573
2019/09/21 11:35
by T. Ozaki
DFT+SOC --- bandgnu13 generates only BANDDAT1 file.
Maedeh
4
781
2019/09/20 23:42
by Maedeh
nan error in optimization of Fe doped Arm chair graphene nano ribbon
Lovleen Kaur
1
578
2019/09/19 11:02
by Jhon W. Gonzalez
Nose-Hoover heat bath mass
Pavel Ondracka
1
846
2019/09/16 12:49
by Naoya Yamaguchi
Compiling Jx executable in ubuntu
Altan
4
703
2019/09/09 17:17
by Altan
orbital contributions of exchange coupling parameters
Bin Shao
2
730
2019/09/04 11:28
by Hongkee Yoon
Solvent model
Lovleen Kaur
0
466
2019/09/02 18:22
by Lovleen Kaur
Understanding exchange coupling parameter calculation
Jhon W. Gonzalez
0
546
2019/08/30 07:26
by Jhon W. Gonzalez
optimization lattice constants of charged single layer 2d metallic materials
Bin Shao
0
537
2019/08/27 14:03
by Bin Shao
Vdw-d3(bj) for 'band' calculation
Nikolai
3
686
2019/08/25 05:51
by Jhon W. Gonzalez
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