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Last Modified
Patch 3.8.2 to OpenMX Ver. 3.8
T. Ozaki
0
973
2017/03/02 22:40
by T. Ozaki
OpenMX 3.8 compiling error
Shinya Tsukamoto
3
1286
2017/03/02 22:38
by T. Ozaki
Berry phase calculation failure
John Sham
1
1308
2017/03/02 22:34
by T. Ozaki
convergence-graphene sheet
Deniz
4
1093
2017/03/02 21:43
by T. Ozaki
DFT-D3 for graphene
S Dechamps
1
1365
2017/03/02 14:51
by T. Ozaki
Open Core
dch
2
927
2017/03/02 13:51
by T. Ozaki
non-collinear angles
Roman Borovic
1
1216
2017/03/02 11:53
by T. Ozaki
For parallel compile "make -j"
Atsushi M. Ito
1
1011
2017/03/02 11:46
by T. Ozaki
Variable cell optimization with external pressure
Le The Anh
1
1053
2017/03/02 10:24
by T. Ozaki
MD.Opt.EveryDIIS
amer
1
1023
2017/02/26 13:20
by Naoya Yamaguchi
Spin polarization versus bias voltage
Fronquer
0
889
2017/02/22 19:50
by Fronquer
negf-vcrelax
hamed
6
966
2017/01/27 20:55
by Artem Pulkin
dr
Peter Brodnicki
1
843
2017/01/21 01:56
by Artem Pulkin
SCF not converged in Non-linear DFT calculation
Xiaoqing Liang
0
826
2017/01/19 07:25
by Xiaoqing Liang
convergence
amir
0
840
2017/01/18 04:48
by amir
found an overcomplete basis set
John Sham
0
950
2017/01/10 12:06
by John Sham
Bulk Transmission
David
2
1120
2017/01/07 10:49
by David
Convergence of NEGF in heterostructure
S Dechamps
6
1340
2017/01/05 20:16
by S Dechamps
What is the unit for Kohn-Sham potential in the output file *.vhart.cube and *.v0.cube
chen
1
867
2017/01/03 18:01
by Artem Pulkin
charge,spin (current densities)
Pavan choudary
1
1127
2016/12/26 21:55
by Mitsuaki Kawamura
IV curve Graphene
Mia
1
1464
2016/12/26 17:55
by T. Ozaki
crystallographic directions
Julio Aguiar
1
921
2016/12/26 17:32
by T. Ozaki
about MAE
Luca
1
994
2016/12/26 17:26
by T. Ozaki
Error
Saeid Amjadian
0
886
2016/11/20 12:37
by Saeid Amjadian
Non-equlibrium
Adalicia
1
995
2016/11/18 18:30
by Artem Pulkin
Initial Charge Densities
Clarke
9
1861
2016/11/15 15:29
by Clarke
Convergence of NEGF for defective GNRs
S Dechamps
6
1600
2016/11/10 20:07
by S Dechamps
how to match the DOS of NEGF with The transmission
Pavan choudary
3
1018
2016/11/09 17:28
by Pavan choudary
Patch 3.8.1 to OpenMX Ver. 3.8
T. Ozaki
0
943
2016/10/21 15:50
by T. Ozaki
Manual setting of occupation numbers
Jan-Niclas
8
1383
2016/10/20 17:22
by T. Ozaki
Implementation of EDM using the continued fraction representation of Fermi function
Ari Ojanperä
1
1050
2016/10/18 00:07
by T. Ozaki
Problem about Mulliken population analysis
duan
2
1230
2016/10/16 23:12
by T. Ozaki
Analysis of NEGF results
Rohit
2
995
2016/10/16 22:31
by TO
PAOs for anions
Daniil
1
1000
2016/10/16 22:09
by T. Ozaki
DIIS geometry optimization
Nikhil
2
1209
2016/10/16 21:55
by T. Ozaki
Bychkov-Rashba effect is dependent on the relative position of the system in the cell
Dubois S.
2
1171
2016/10/16 21:45
by T. Ozaki
alignment of band structure with vaccum level
Renato Borges Pontes
2
979
2016/10/16 19:03
by T. Ozaki
magnetic anisotropy energy calculated seems wrong!
Shekoufe Khosravi
2
1173
2016/10/16 19:01
by T. Ozaki
error on make TranMain with Ubuntu 14.04 LTS
Diego
0
1100
2016/10/05 07:00
by Diego
error on make DosMain with Ubuntu 14.04 LTS
Diego
0
1063
2016/10/05 06:57
by Diego
How Generate TranMain and DosMain package on OpenMX on Ubuntu 14.04 LTS?
Diego Castillo V.
0
984
2016/10/04 03:27
by Diego Castillo V.
NEGF Calculation Hanging
Peter
2
1032
2016/10/03 20:21
by Peter
Installation Manual of OpenMX 3.7.6-1 on Linux (Ubuntu 14.04 LTS)
Diego Castillo
0
2724
2016/09/29 03:25
by Diego Castillo
Installation Problem OpenMX 3.7
Diego Castillo
2
1181
2016/09/29 02:59
by Diego Castillo
Convergence Issue: Very High Value of Uele
Nikhil
2
1357
2016/09/22 13:40
by Nikhil
installation error 3.8
pavan choudary
0
893
2016/09/20 16:58
by pavan choudary
Installation 3.8
Krishna
2
1137
2016/09/10 19:06
by Krishna
Exchange coupling parameter program (jx)
Joao Amaral
6
1946
2016/09/06 16:58
by Hongkee Yoon
Error points in Band Structure of SrVO3
Priya Dey
1
1165
2016/09/04 21:05
by T. Ozaki
MBJLDA
Sehoon Oh
1
1212
2016/09/02 12:06
by T. Ozaki
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