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Author
Replies
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Last Modified
Fermi level is not at the middle of the gap
Dinh Loc Duong
4
9501
2011/08/26 17:43
by T.Ozaki
Enquiry with Band structure
Dimpy Sharma
1
2215
2011/08/26 17:28
by T.Ozaki
Question about GGA+U
rocdawn
2
3369
2011/08/23 15:10
by wsajad
Atoms.UnitVectors.Unit
wsajad
1
1946
2011/08/22 03:34
by mahyar
constant magnetism
Gabriel Greene
3
2698
2011/08/22 03:29
by mahyar
slow convergence of small clusters
sanjeev
2
2384
2011/08/11 03:15
by N.Kolchenko
problem in band dispersion
wsajad
0
1548
2011/08/08 21:06
by wsajad
where to set gamma poin in the input file?
wsajad
0
1579
2011/08/06 15:08
by wsajad
Long directory path for argument DATA.PATH in the input file causes OpenMX to segfault
Renato Miceli
1
2229
2011/08/05 01:47
by T.Ozaki
Spherical Bessel Transform
Julio Aguiar
1
1923
2011/08/02 00:14
by T.Ozaki
out-put vizualisation
sanjeev
1
1954
2011/07/30 00:42
by T.Ozaki
Utotal is positive and high enough
wsajad
1
2219
2011/07/30 00:37
by T.Ozaki
Unexisting input file causes TranMain to segfault
Renato Miceli
1
1767
2011/07/30 00:35
by T.Ozaki
error in calculations of dos
wsajad
5
2891
2011/07/25 15:10
by wsajad
Use of symmetry in Openmx
Mauro Sgroi
2
2365
2011/07/22 22:46
by Mauro Sgroi
why Uele is zero in NEGF (step2)?
arlonne
2
1651
2011/07/12 15:21
by arlonne
whether we are calculating for bulk or nano
wsajad
4
2231
2011/07/11 21:16
by T.Ozaki
error in running
wsajad
2
1840
2011/07/11 16:14
by wsajad
Atoms.SpeciesAndCoordinates
Julio Aguiar
1
1866
2011/07/06 00:46
by T.Ozaki
input file for the sfc calculations of PbMnTe & CdMnTe
idris
2
1744
2011/06/30 16:47
by idri
Geometry optimization and restart files in parallel (on many nodes)
Mauro Sgroi
7
3835
2011/06/21 19:25
by Mauro Sgroi
GPU
Denis Music
1
1906
2011/06/09 01:01
by T.Ozaki
DOS calculation by OpenMx
Sheelan SC
9
4649
2011/06/08 19:35
by Sheelan SC
DOS and NEGF
Alejandro Leon
2
2466
2011/06/01 15:29
by Sheelan SC
performance against Siesta, any impression?
David
3
2249
2011/05/29 21:42
by T.Ozaki
Transmission
lida
1
1765
2011/05/28 10:05
by T.Ozaki
DZP equivalent basis
David
5
2288
2011/05/25 23:48
by T.Ozaki
Release of OpenMX Ver.3.5
T.Ozaki
5
4264
2011/05/22 04:13
by David
question on MLWF in Noncolinear calculation
jchang
1
2180
2011/05/21 00:36
by T.Ozaki
Tight Binding parameter extract from MLWF
KF
1
3494
2011/05/20 23:27
by jchang
Bug in function Cluster_collinear
Renato Miceli
8
2212
2011/05/13 21:41
by Renato Miceli
OpenMX CD
Wole
1
1746
2011/05/04 21:49
by T. Ozaki
Memory & new version
Jan Rusz
1
2558
2011/05/04 21:08
by T. Ozaki
Dr.Sci
Kuznetsov
1
1698
2011/05/04 20:22
by T. Ozaki
hamiltonian matrix and overlap files
xianghui
4
2847
2011/04/06 22:51
by xianghui
Electric transport calculations: error
Dr Haider Abbas
0
1867
2011/03/28 16:14
by Dr Haider Abbas
New development of OpenMX
Mauro Sgroi
2
1999
2011/03/10 04:29
by Mauro Sgroi
Include external file
Jan Sommer
0
1615
2011/03/04 00:47
by Jan Sommer
Assigning initial charges to atoms in an input file
Derek Stewart
1
2003
2011/03/03 11:07
by T.Ozaki
Collection of Utilities/Tools to create input files
Jan Sommer
0
1872
2011/03/02 23:58
by Jan Sommer
A few questions about adpack 2.1
G. Faccin
1
2473
2011/02/01 22:06
by T.Ozaki
tight binding parameter extraction
J. Chang
2
3162
2011/01/13 02:07
by J. Chang
Difference Charge Density
Gabriel Greene
1
2726
2010/12/10 09:40
by T.Ozaki
Re: Difference Charge density
Gabriel Greene
0
1707
2010/12/10 00:14
by Gabriel Greene
BFGS results change with number of processors
Sarah Jones
1
2127
2010/12/02 23:20
by T.Ozaki
Minor patch for bandgnu13.c
H. Jeong
1
2195
2010/11/29 21:46
by T.Ozaki
ESP
Gabriel Greene
2
2436
2010/11/26 23:37
by Gabriel Greene
Transmission calculations with non-collinear spin DFT
Wendy
2
2493
2010/11/25 05:32
by Wendy
Ghost state in Cu TM KB pseudopotential as a function of local component choice
Milica
0
2712
2010/11/17 04:32
by Milica
transport, # channels
Gabriel Greene
0
2202
2010/10/30 21:01
by Gabriel Greene
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