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Last Modified
DZP equivalent basis
David
5
2100
2011/05/25 23:48
by T.Ozaki
Release of OpenMX Ver.3.5
T.Ozaki
5
4012
2011/05/22 04:13
by David
question on MLWF in Noncolinear calculation
jchang
1
2017
2011/05/21 00:36
by T.Ozaki
Tight Binding parameter extract from MLWF
KF
1
3264
2011/05/20 23:27
by jchang
Bug in function Cluster_collinear
Renato Miceli
8
1989
2011/05/13 21:41
by Renato Miceli
OpenMX CD
Wole
1
1574
2011/05/04 21:49
by T. Ozaki
Memory & new version
Jan Rusz
1
2328
2011/05/04 21:08
by T. Ozaki
Dr.Sci
Kuznetsov
1
1518
2011/05/04 20:22
by T. Ozaki
hamiltonian matrix and overlap files
xianghui
4
2627
2011/04/06 22:51
by xianghui
Electric transport calculations: error
Dr Haider Abbas
0
1693
2011/03/28 16:14
by Dr Haider Abbas
New development of OpenMX
Mauro Sgroi
2
1831
2011/03/10 04:29
by Mauro Sgroi
Include external file
Jan Sommer
0
1437
2011/03/04 00:47
by Jan Sommer
Assigning initial charges to atoms in an input file
Derek Stewart
1
1798
2011/03/03 11:07
by T.Ozaki
Collection of Utilities/Tools to create input files
Jan Sommer
0
1714
2011/03/02 23:58
by Jan Sommer
A few questions about adpack 2.1
G. Faccin
1
2249
2011/02/01 22:06
by T.Ozaki
tight binding parameter extraction
J. Chang
2
2983
2011/01/13 02:07
by J. Chang
Difference Charge Density
Gabriel Greene
1
2531
2010/12/10 09:40
by T.Ozaki
Re: Difference Charge density
Gabriel Greene
0
1548
2010/12/10 00:14
by Gabriel Greene
BFGS results change with number of processors
Sarah Jones
1
1954
2010/12/02 23:20
by T.Ozaki
Minor patch for bandgnu13.c
H. Jeong
1
2017
2010/11/29 21:46
by T.Ozaki
ESP
Gabriel Greene
2
2187
2010/11/26 23:37
by Gabriel Greene
Transmission calculations with non-collinear spin DFT
Wendy
2
2324
2010/11/25 05:32
by Wendy
Ghost state in Cu TM KB pseudopotential as a function of local component choice
Milica
0
2527
2010/11/17 04:32
by Milica
transport, # channels
Gabriel Greene
0
2027
2010/10/30 21:01
by Gabriel Greene
One-dimensional systems in OpenMX v3.4
Lyudmila Fomina
0
1576
2010/10/28 23:24
by Lyudmila Fomina
Installing ADPACK on Mac
Elon Weintraub
0
2300
2010/09/27 08:29
by Elon Weintraub
The imprimation of TRAN_Poisson for the boundary condition
Yukihiro Okuno
0
2261
2010/08/25 17:24
by Yukihiro Okuno
Hellman Feynman Force in NEGF calculation
Juilian Josef
0
2031
2010/08/18 23:04
by Juilian Josef
SCF problem with the same periodic structure
Dinh Loc Duong
0
3459
2010/07/21 10:44
by Dinh Loc Duong
Transport with non collinear calculation
J. Chang
0
2000
2010/06/28 04:14
by J. Chang
Negative transmission coefficient values
Priyamvada Jadaun
0
2393
2010/06/19 06:05
by Priyamvada Jadaun
Is the Orbital Optimization variational with rispect to the Total Energy?
Mauro
0
2053
2010/06/02 00:46
by Mauro
Band gap of carbon nanotube is dependent of cell size
Dinh Loc Duong
0
2635
2010/05/26 10:15
by Dinh Loc Duong
How to properly calculate atoms?
jlrch
0
1974
2010/05/20 04:21
by jlrch
61 atom Fe wire lead, achieving convergance
Gabriel Greene
1
2371
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
2156
2010/05/02 23:42
by Dimpy
Interatomic forces at close distances
Daniel
1
2255
2010/04/22 05:29
by Daniel
A question about nanotube applications
Honggyu Kim
0
4079
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
2259
2010/04/08 09:39
by harish
one problem when running the calculation
yang
3
4929
2010/04/07 09:22
by yang
TranMain not compiling
Gabriel Greene
1
1338
2010/04/04 19:43
by azamat
Can anyone tell me how to set the "Atoms.UnitVectors “?
yang
0
2356
2010/03/31 17:53
by yang
Density of states for a large semiconductor system
miher
0
2114
2010/03/30 23:03
by miher
Silver bulk modulus
B.Martins
0
2833
2010/03/15 03:43
by B.Martins
Vibration and Phonons
Mauro Sgroi
0
2650
2010/02/24 22:45
by Mauro Sgroi
On the calculation of the band offset in OpenMX
Okuno
0
2608
2010/02/19 01:12
by Okuno
Optimize
shahryar zeynali
0
2027
2010/02/05 03:09
by shahryar zeynali
Differing results from openmx -runtest for gcc and ifort
J. J. Ramsey
4
7156
2010/02/03 15:52
by Kim, Minsung
heat conductivity within NEGF?
Denis
1
2328
2010/01/29 13:21
by T.Ozaki
Compare the chemical potential of two system
Dinh Loc Duong
1
4455
2010/01/29 13:18
by T.Ozaki
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