OpenMX Forum
New Thread
|
Return Home
|
Points of Concern
|
Search
|
Past Log
|
Administration
List of Threads
Topics
Author
Replies
Views
Last Modified
OpenMX CD
Wole
1
1213
2011/05/04 21:49
by T. Ozaki
Memory & new version
Jan Rusz
1
1887
2011/05/04 21:08
by T. Ozaki
Dr.Sci
Kuznetsov
1
1135
2011/05/04 20:22
by T. Ozaki
hamiltonian matrix and overlap files
xianghui
4
2159
2011/04/06 22:51
by xianghui
Electric transport calculations: error
Dr Haider Abbas
0
1309
2011/03/28 16:14
by Dr Haider Abbas
New development of OpenMX
Mauro Sgroi
2
1458
2011/03/10 04:29
by Mauro Sgroi
Include external file
Jan Sommer
0
1055
2011/03/04 00:47
by Jan Sommer
Assigning initial charges to atoms in an input file
Derek Stewart
1
1379
2011/03/03 11:07
by T.Ozaki
Collection of Utilities/Tools to create input files
Jan Sommer
0
1297
2011/03/02 23:58
by Jan Sommer
A few questions about adpack 2.1
G. Faccin
1
1797
2011/02/01 22:06
by T.Ozaki
tight binding parameter extraction
J. Chang
2
2479
2011/01/13 02:07
by J. Chang
Difference Charge Density
Gabriel Greene
1
2049
2010/12/10 09:40
by T.Ozaki
Re: Difference Charge density
Gabriel Greene
0
1167
2010/12/10 00:14
by Gabriel Greene
BFGS results change with number of processors
Sarah Jones
1
1562
2010/12/02 23:20
by T.Ozaki
Minor patch for bandgnu13.c
H. Jeong
1
1618
2010/11/29 21:46
by T.Ozaki
ESP
Gabriel Greene
2
1733
2010/11/26 23:37
by Gabriel Greene
Transmission calculations with non-collinear spin DFT
Wendy
2
1953
2010/11/25 05:32
by Wendy
Ghost state in Cu TM KB pseudopotential as a function of local component choice
Milica
0
2152
2010/11/17 04:32
by Milica
transport, # channels
Gabriel Greene
0
1616
2010/10/30 21:01
by Gabriel Greene
One-dimensional systems in OpenMX v3.4
Lyudmila Fomina
0
1231
2010/10/28 23:24
by Lyudmila Fomina
Installing ADPACK on Mac
Elon Weintraub
0
1881
2010/09/27 08:29
by Elon Weintraub
The imprimation of TRAN_Poisson for the boundary condition
Yukihiro Okuno
0
1890
2010/08/25 17:24
by Yukihiro Okuno
Hellman Feynman Force in NEGF calculation
Juilian Josef
0
1653
2010/08/18 23:04
by Juilian Josef
SCF problem with the same periodic structure
Dinh Loc Duong
0
2970
2010/07/21 10:44
by Dinh Loc Duong
Transport with non collinear calculation
J. Chang
0
1633
2010/06/28 04:14
by J. Chang
Negative transmission coefficient values
Priyamvada Jadaun
0
1966
2010/06/19 06:05
by Priyamvada Jadaun
Is the Orbital Optimization variational with rispect to the Total Energy?
Mauro
0
1686
2010/06/02 00:46
by Mauro
Band gap of carbon nanotube is dependent of cell size
Dinh Loc Duong
0
2272
2010/05/26 10:15
by Dinh Loc Duong
How to properly calculate atoms?
jlrch
0
1623
2010/05/20 04:21
by jlrch
61 atom Fe wire lead, achieving convergance
Gabriel Greene
1
2022
2010/05/13 17:46
by JH Parq
Can not get the output file,ie *.out but can get other output files like *.std,*.cif
Dimpy
0
1769
2010/05/02 23:42
by Dimpy
Interatomic forces at close distances
Daniel
1
1900
2010/04/22 05:29
by Daniel
A question about nanotube applications
Honggyu Kim
0
3675
2010/04/08 20:12
by Honggyu Kim
execution of oenmx in parallel environment (using mpirun) result in error failed to save rst file
harish
0
1917
2010/04/08 09:39
by harish
one problem when running the calculation
yang
3
4196
2010/04/07 09:22
by yang
TranMain not compiling
Gabriel Greene
1
953
2010/04/04 19:43
by azamat
Can anyone tell me how to set the "Atoms.UnitVectors “?
yang
0
1989
2010/03/31 17:53
by yang
Density of states for a large semiconductor system
miher
0
1750
2010/03/30 23:03
by miher
Silver bulk modulus
B.Martins
0
2435
2010/03/15 03:43
by B.Martins
Vibration and Phonons
Mauro Sgroi
0
2244
2010/02/24 22:45
by Mauro Sgroi
On the calculation of the band offset in OpenMX
Okuno
0
2240
2010/02/19 01:12
by Okuno
Optimize
shahryar zeynali
0
1685
2010/02/05 03:09
by shahryar zeynali
Differing results from openmx -runtest for gcc and ifort
J. J. Ramsey
4
6736
2010/02/03 15:52
by Kim, Minsung
heat conductivity within NEGF?
Denis
1
1940
2010/01/29 13:21
by T.Ozaki
Compare the chemical potential of two system
Dinh Loc Duong
1
3971
2010/01/29 13:18
by T.Ozaki
kGrid
shahryar zeynali
0
1532
2010/01/17 03:29
by shahryar zeynali
input file
shahryar zeynali
1
1836
2010/01/11 05:01
by shahryar zeynali
Required
jafar azamat
2
1967
2010/01/09 03:29
by shahryar zeynali
Workstation is hung-up
T.Igarashi
1
2135
2009/12/16 20:03
by mabeja
Problem compile OPENMX3.5
Dinh Loc Duong
2
2104
2009/12/01 19:10
by Rainer Heintzmann
Page: [
1
] [
2
] [
3
] [
4
] [
5
] [
6
] [
7
] [
8
] [
9
] [
10
] [
11
] [
12
]
[13]
[
14
] [
15
] [
16
] [
17
] [
18
] [
19
]
Open Thread
Locked Thread
Alarm(More than 90 replies)
Message from Administrator
-
Web Patio
-