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Last Modified
*.sden.cube
Riemann
2
1232
2015/06/16 17:06
by Riemann
Regarding error in results of NEGF calculation
KZ
4
1623
2015/06/14 13:32
by KZ
TranMain
boshra
1
2927
2015/06/13 19:06
by Riemann
Diagonal terms in overlap matrix not equalled to 1
KZ
10
1699
2015/06/12 19:15
by Artem Pulkin
PAV in Openmx?
Giovanni
1
1491
2015/06/09 23:32
by Artem Pulkin
How to generate a mixed pseudopotential
PR
3
4895
2015/06/09 17:32
by T. Ozaki
Unfolding band structure
Eike F. Schwier
2
1672
2015/06/09 12:05
by Eike F. Schwier
Charge density in .dden.cube
Artem Pulkin
1
1251
2015/06/08 15:04
by T. Ozaki
Possible bug in restart file reading
Aaron Thong
1
1135
2015/06/04 18:11
by T. Ozaki
Electrostatic Potential
Giovanni
2
1197
2015/05/26 21:33
by Giovanni
problem of instalation
youna
2
1476
2015/05/24 06:36
by youna
Exchange parameter
Rakesh Kar
0
1277
2015/04/29 21:37
by Rakesh Kar
Band Dispersion Problem
Khalid Ibne Masood
3
1295
2015/04/25 22:45
by PR
Question about PAO cut radii and size of unit cells in NEGF calculation
kzhoulatte
10
2318
2015/04/14 04:31
by kzhoulatte
restart file error on EvsLC calculation.
Seungjin
2
1650
2015/04/08 21:29
by Seungjin
Confusion about the index in HS.fileout Hamiltonian
kzhoulatte
7
1613
2015/04/08 05:26
by kzhoulatte
orbital coefficient
ZT
3
1281
2015/04/07 09:28
by T. Ozaki
-Dnosse option and Krylov
Lee, Sungjin
2
1170
2015/04/06 20:22
by Lee, Sungjin
real space hopping integral
Riemann
1
1492
2015/04/06 18:39
by T. Ozaki
Exracting Tight binding parameters from MLWF calculation
Riemann
0
4533
2015/04/05 03:57
by Riemann
scf convergence issues in NEGF calculations
Aaron Thong
6
2002
2015/03/31 21:48
by Artem Pulkin
how to fix Unit cell angle
Jai Prakash
1
1237
2015/03/31 21:11
by Aaron Thong
Notes on Compilation of OpenMX
T. Ozaki
0
1289
2015/03/31 11:49
by T. Ozaki
For the K points setting using Monkhorst-Pack method, can I force the k points to include Gamma?
Kuan Zhou
3
7057
2015/03/30 17:47
by Artem Pulkin
For band calculation of MoS2, I found band edges are correct, but not for the higher bands.
Kuan Zhou
4
2030
2015/03/30 05:03
by Kuan Zhou
Optimization NOT converged when calculation wannier function
huei chen
0
1931
2015/03/26 17:28
by huei chen
Turning off calculation of forces
Felipe Jornada
1
1268
2015/03/26 13:37
by T. Ozaki
bandstructure problem
Mosahar
11
1629
2015/03/25 20:59
by Mosahar
prallel installation
Haider Abbas
1
1220
2015/03/25 01:03
by sungwoojang
PDOS for arbitrary orbital
Seungjin
3
1590
2015/03/16 18:01
by Seungjin
Reza
Behjatmanesh
1
1579
2015/03/13 23:26
by Reza
error of negf
Weiqi Lee
0
1213
2015/03/13 19:09
by Weiqi Lee
A unable to understand problem in NEGF calculation
Weiqi Lee
0
1217
2015/03/13 18:44
by Weiqi Lee
Optical propertiese of Graphene
Smart
1
1242
2015/03/10 13:36
by T. Ozaki
What does d1~d5 mean in PDOS file?
Seungjin
2
1425
2015/03/04 13:00
by Seungjin
openmx and linux distribution
Mosahhar
10
1936
2015/03/02 19:03
by marcindulak
Output files on HPC facilities
Mauro Sgroi
1
1165
2015/02/26 09:40
by T. Ozaki
DFT+U: different oxidation states on the same element (charge ordering)
Mauro Sgroi
2
1362
2015/02/23 23:27
by Mauro Sgroi
Pseudo-potential for fictitious atoms
PR
3
1591
2015/02/23 03:21
by PR
Patch 3.7.10 to OpenMX Ver. 3.7
T. Ozaki
0
1242
2015/02/21 23:16
by T. Ozaki
Patch 3.7.9 to OpenMX Ver. 3.7
T. Ozaki
2
1366
2015/02/21 22:50
by marcindulak
atomic structure for NEGF
Darek
5
1650
2015/02/20 19:31
by Darek
Small problem in bandgnu13 file
Seungjin
1
1187
2015/02/20 16:57
by T. Ozaki
installation problem
Mosahhar
1
1405
2015/02/20 13:18
by T. Ozaki
OpenMX consumes memory and dies
Artem Pulkin
1
1346
2015/02/20 13:15
by T. Ozaki
Compile Error!
masoud
12
7605
2015/02/19 00:05
by Masoud
scf convergence problem on Iron based supercell consisting of 484 atoms
Yueqiang Gu
5
1604
2015/02/11 11:47
by Yueqiang Gu
scf convergence problem of Pt(111) slab
Wang Yuanqing
10
2250
2015/02/10 21:45
by T. Ozaki
pseudo-atomic basis orbitals
Riemann
1
1747
2015/02/10 21:38
by T. Ozaki
how to read *.md file using XCrySDen software
Wang Yuanqing
3
1986
2015/02/10 19:13
by Denis Music
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