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One-dimensional systems in OpenMX v3.4
Lyudmila Fomina
0
1720
2010/10/28 23:24
by Lyudmila Fomina
Installing ADPACK on Mac
Elon Weintraub
0
2501
2010/09/27 08:29
by Elon Weintraub
The imprimation of TRAN_Poisson for the boundary condition
Yukihiro Okuno
0
2444
2010/08/25 17:24
by Yukihiro Okuno
Hellman Feynman Force in NEGF calculation
Juilian Josef
0
2199
2010/08/18 23:04
by Juilian Josef
SCF problem with the same periodic structure
Dinh Loc Duong
0
3665
2010/07/21 10:44
by Dinh Loc Duong
Transport with non collinear calculation
J. Chang
0
2168
2010/06/28 04:14
by J. Chang
Negative transmission coefficient values
Priyamvada Jadaun
0
2582
2010/06/19 06:05
by Priyamvada Jadaun
Is the Orbital Optimization variational with rispect to the Total Energy?
Mauro
0
2216
2010/06/02 00:46
by Mauro
Band gap of carbon nanotube is dependent of cell size
Dinh Loc Duong
0
2797
2010/05/26 10:15
by Dinh Loc Duong
How to properly calculate atoms?
jlrch
0
2108
2010/05/20 04:21
by jlrch
61 atom Fe wire lead, achieving convergance
Gabriel Greene
1
2534
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
2306
2010/05/02 23:42
by Dimpy
Interatomic forces at close distances
Daniel
1
2404
2010/04/22 05:29
by Daniel
A question about nanotube applications
Honggyu Kim
0
4293
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
2423
2010/04/08 09:39
by harish
one problem when running the calculation
yang
3
5222
2010/04/07 09:22
by yang
TranMain not compiling
Gabriel Greene
1
1505
2010/04/04 19:43
by azamat
Can anyone tell me how to set the "Atoms.UnitVectors “?
yang
0
2533
2010/03/31 17:53
by yang
Density of states for a large semiconductor system
miher
0
2285
2010/03/30 23:03
by miher
Silver bulk modulus
B.Martins
0
3008
2010/03/15 03:43
by B.Martins
Vibration and Phonons
Mauro Sgroi
0
2811
2010/02/24 22:45
by Mauro Sgroi
On the calculation of the band offset in OpenMX
Okuno
0
2810
2010/02/19 01:12
by Okuno
Optimize
shahryar zeynali
0
2194
2010/02/05 03:09
by shahryar zeynali
Differing results from openmx -runtest for gcc and ifort
J. J. Ramsey
4
7357
2010/02/03 15:52
by Kim, Minsung
heat conductivity within NEGF?
Denis
1
2498
2010/01/29 13:21
by T.Ozaki
Compare the chemical potential of two system
Dinh Loc Duong
1
4688
2010/01/29 13:18
by T.Ozaki
kGrid
shahryar zeynali
0
2076
2010/01/17 03:29
by shahryar zeynali
input file
shahryar zeynali
1
2351
2010/01/11 05:01
by shahryar zeynali
Required
jafar azamat
2
2481
2010/01/09 03:29
by shahryar zeynali
Workstation is hung-up
T.Igarashi
1
2759
2009/12/16 20:03
by mabeja
Problem compile OPENMX3.5
Dinh Loc Duong
2
2642
2009/12/01 19:10
by Rainer Heintzmann
Log Mesh of PAO
Liao Chen
1
2701
2009/12/01 13:19
by Masayuki Toyoda
Dr
R K Pandey
2
2354
2009/11/07 04:13
by shahryar
Isotope effect
Dinh Loc Duong
2
2149
2009/11/05 17:37
by jafar azamat
Required
jafar azamat
0
2080
2009/11/01 20:09
by jafar azamat
The effective potential
Yen-Hsun Su
1
2281
2009/10/29 22:54
by T.Ozaki
A compilation problem of OpenMx 3.4.4 in Centos5.3
wangdb
8
8024
2009/09/01 02:38
by Phil
unit cell optimization
Philip
0
2484
2009/07/21 06:20
by Philip
Low memory utility rate
kuofeng
0
2668
2009/06/18 18:43
by kuofeng
Cube file for each time step
Spelnikov Dmitry
0
2589
2009/06/10 19:43
by Spelnikov Dmitry
Bug in the function "Band_DFT_MO_NonCol" in every version
Jeong
0
2503
2009/06/04 23:01
by Jeong
openmx suspected memory leak?
Alin M Elena
0
2874
2009/05/20 19:00
by Alin M Elena
Parallel runs crash on one cluster but not the other
Baruch Feldman
1
2967
2009/05/08 18:52
by Baruch Feldman
Definition of chemical potential in OPENMX
Loc Duong Dinh
1
2756
2009/04/10 23:29
by Loc Duong Dinh
Generation of a Pseudopotential for gold
Giovani Faccin
0
3315
2009/03/21 03:11
by Giovani Faccin
question about installation----CC&LIB
rocdawn
2
2081
2009/03/19 14:31
by rocdawn
kutu
Xiang He
0
1719
2009/03/16 16:37
by Xiang He
openmx(242) malloc: ***vm_allocate(size=8421376) failed (error code=3)
YuYe Tong
1
3448
2009/03/04 14:35
by H Jeong
nan MulP in Cluster solver
Jian Zhou
5
3945
2009/03/03 16:37
by Jian Zhou
Bond Order Potential
Igarashi
0
2693
2009/02/06 13:58
by Igarashi
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