OpenMX Forum
New Thread
|
Return Home
|
Mailing List
|
Points of Concern
|
Search
|
Past Log
|
Administration
List of Threads
Topics
Author
Replies
Views
Last Modified
the band structure of 4H-SiC
Qi Wang
5
120
2022/01/08 02:12
by Naoya Yamaguchi
Outputting cube-file for specific Molecular Orbital
Kelvin Anggara
1
115
2021/12/30 13:37
by Naoya Yamaguchi
eigen value
maedeh
3
137
2021/12/28 20:28
by Naoya Yamaguchi
some questions
zhou chao
1
114
2021/12/28 12:22
by Naoya Yamaguchi
band gap accuracy
Ali
1
137
2021/12/27 16:06
by Pavel Ondracka
OpenMx 3.9 installation issue
Gilad Gani
8
172
2021/12/23 18:45
by Gilad Gani
atmic stress
K.Suzuki
0
114
2021/12/22 17:51
by K.Suzuki
Determination of atomic energy and stress
S.Sato
1
108
2021/12/15 19:07
by Naoya Yamaguchi
How can we determine fermi level from HS.out and PAO/VPS information
PES217i
1
124
2021/12/14 11:55
by Naoya Yamaguchi
Inconsistent lattice
Ana
1
118
2021/12/11 16:31
by Naoya Yamaguchi
Gate potential
Samuel Dechamps
0
125
2021/12/07 00:23
by Samuel Dechamps
Two questions about PDOS calculation of CoO.
K.Usami
3
173
2021/12/05 00:21
by K.Usami
problem in OpenMX interface with BoltzTraP
zeinab moradi
9
468
2021/11/26 10:58
by Masanobu Miyata
Openmx - BoltzTrap2
Alejandro Leon
1
141
2021/11/26 10:52
by Masanobu Miyata
STM by WSxM
Vipin Kumar
4
145
2021/11/22 18:48
by Naoya Yamaguchi
Error Message from the Installation of OpenMX
Kieran
9
193
2021/11/20 13:49
by Naoya Yamaguchi
A trouble with generation of restart file
Takuma Takeda
2
164
2021/11/15 23:01
by Takuma Takeda
undefined reference to `Set_XC_NL1_Grid'
Luca
2
148
2021/11/15 22:53
by Luca
There is an error in the electron transport calculation
Zhipeng Huang
7
322
2021/11/09 17:03
by Zhipeng Huang
deb packages of OpenMX
Naoya Yamaguchi
2
168
2021/11/08 17:36
by Naoya Yamaguchi
Linking fails with gcc 11.2.1 - multiple definition of many variables
Pavel Ondracka
0
347
2021/11/08 16:31
by Pavel Ondracka
gcube2oned for a cube file including spaces in comment lines
Naoya Yamaguchi
0
121
2021/11/08 00:11
by Naoya Yamaguchi
About obtaining PDOS by hybridized orbitals
Takuma Takeda
2
160
2021/11/07 20:10
by Takuma Takeda
openmx3.9 mpi error
davidshisui
1
188
2021/11/07 14:37
by Naoya Yamaguchi
Thermostat issues when simulating surface bombardment
Pavel Ondračka
0
115
2021/11/04 23:26
by Pavel Ondračka
openmx on Debian Bullseye
H.Ueda
5
172
2021/11/04 17:59
by H.Ueda
OpenMx3.9.9 install problem
TSUTOMU HOSHINO
1
196
2021/11/04 01:20
by Naoya Yamaguchi
Some questions about MD.TimeStep
Z
2
154
2021/10/30 18:59
by Z
calculation of hopping
maedeh
5
216
2021/10/29 19:32
by maedeh
mpirun hangs indefinetly on multiple nodes
P
0
115
2021/10/29 12:53
by P
The magnitude of the crystal field splitting
K.Usami
0
141
2021/10/24 18:26
by K.Usami
On the model with shear strain
S.Sato
0
135
2021/10/21 14:56
by S.Sato
Patch 3.9.3 to OpenMX Ver. 3.9
T. Ozaki
7
416
2021/10/20 12:40
by Atsushi M. Ito
Energy decomposition
Jingyang Wang
1
176
2021/10/17 21:50
by T. Ozaki
How to put strain on a material
S.Sato
1
170
2021/10/15 11:53
by Naoya Yamaguchi
How to calculate eigenstates from HS.out
PES217i
6
303
2021/10/06 14:44
by Naoya Yamaguchi
Able to make VPS with adpack (no segmentation fault)
Malone
0
176
2021/09/23 22:52
by Malone
Restarting NEB calculation changes coordinate unit
Hisashi Higuchi
3
178
2021/09/23 12:31
by Hisashi Higuchi
Installation error openmx 3.9
Vipin Kumar
13
426
2021/09/22 21:07
by Naoya Yamaguchi
How to calculate the melting point of a compound using the MD simulations?
Xuemei Zhang
1
169
2021/09/18 11:12
by T. Ozaki
Installation of OpenMX Ver. 3.9 on Ubuntu 18.04.4 LTS on WSL on Windows 10 (64bit)
T. Ozaki
1
1244
2021/08/29 10:52
by T. Ozaki
The result of runtest
K. Yamaguchi
4
299
2021/08/23 09:12
by K. Yamaguchi
OpenMx-3.9 : segmentation fault at runtime with gcc-9
Deepali Rai
3
334
2021/08/18 20:20
by Deepali Rai
Compilation advice on 5950x AMD Ryzen
Zsolt
1
346
2021/08/15 10:44
by T. Ozaki
bug in patch3.9.4
Jhon González
3
273
2021/08/15 10:39
by T. Ozaki
orbital order in HS.out
RK
1
237
2021/08/12 19:40
by Naoya Yamaguchi
Problems with NH MD and multiple continuation runs
Pavel Ondracka
3
196
2021/08/08 06:40
by T. Ozaki
Instability of a function Band_DFT_NonCol in the case of GCC
Naoya Yamaguchi
1
226
2021/08/07 12:06
by T. Ozaki
Problems with MD restart and rmm-diisv
Pavel Ondracka
3
200
2021/08/04 21:44
by T. Ozaki
Can we calculate only overlap matrix without SCF calculation?
RK
3
211
2021/08/02 20:22
by Naoya Yamaguchi
Page: [
1
]
[2]
[
3
] [
4
] [
5
] [
6
] [
7
] [
8
] [
9
] [
10
] [
11
] [
12
] [
13
] [
14
] [
15
] [
16
] [
17
] [
18
] [
19
] [
20
] [
21
] [
22
] [
23
] [
24
] [
25
] [
26
]
Open Thread
Locked Thread
Alarm(More than 180 replies)
Message from Administrator
-
Web Patio
-