OpenMX Forum
New Thread | Return Home | Mailing List | Points of Concern | Search | Past Log | Administration    

List of Threads

Topics Author Replies Views Last Modified
OpenFFT non-orthogonal boxPui-Wai (Leo) Ma18482017/08/01 22:46
by T. Ozaki
Convergence problem?Asako Terasawa518572017/08/01 18:07
by Asako Terasawa
External pseudopotentials and large structuresDaniil1314482017/07/17 03:57
by Daniil
Dipole Moment CorrectionSomesh Bhattacharya110262017/07/15 00:11
by Christopher Latham
How to assign Hubbard U values to the two d basis orbitals of Fe atom (LDA+U)?Xiangyang Peng417502017/07/06 11:14
by Xiangyang Peng
about Charge doping ?Viet Hung Nguyen612342017/07/05 02:43
by Viet Hung Nguyen
unable to make VPS for C with adpack (segmentation fault) [CONFIRMED]Chris Latham1014542017/07/03 01:16
by Daniil
Simulating point chargesDaniil29842017/06/27 22:57
by Daniil
Density matrices for NC DFTDaniil712102017/06/27 22:40
by Daniil
Dft-negfJeffri110672017/06/27 14:27
by T. Ozaki
STM imagesDaniel Souza18122017/06/27 14:08
by T. Ozaki
Re: electron g factor [SOLVED]Chris Latham213272017/06/24 22:26
by Chris Latham
band vs. cluster methodstata210302017/06/24 21:51
by tata
ELPA OpenMP/MPIPui-Wai (Leo) Ma19512017/06/24 17:22
by T. Ozaki
What is the local y-axis in Wannier calculationsP19382017/06/24 17:05
by T. Ozaki
Electronic entropy appears to be missingChris Latham29972017/06/19 04:35
by Chris Latham
The variable cell optimization of Bi2Te3huiyuan geng714402017/06/18 20:38
by Chris Latham
cluster & band calculationstata312522017/06/18 18:41
by tata
negfAsad610512017/06/08 06:22
by Reza
Wrong Uele for periodic system with large basisDaniil48772017/06/05 21:13
by Daniil
what is the purpose of -Dxt3 in the makefile? [SOLVED]Chris Latham28682017/06/01 19:44
by Chris Latham
variable cell optimizationmosahar611262017/06/01 17:18
by mosahar
Significant mismatch between the bandgap values computed by bandstructure and Dos (Not solved ...)AM812232017/05/28 12:05
by T. Ozaki
Bessel expansion of PAO/VPSArtem Pulkin511512017/05/24 09:45
by T. Ozaki
Memcpy argument memory ranges overlap with MPICH2 (SOLVED)Kylin128752017/05/24 09:26
by T. Ozaki
Output format of the stress tensorPascal Bliem110582017/05/23 17:36
by Yung Ting Lee
Segmentation fault in _IO_vfprintf with large basisDaniil418802017/05/19 05:02
by Daniil
Compile openMX with Intel Compiler and ACML math libraryKylin413652017/05/18 11:09
by T. Ozaki
how to compare the energy calculated from openmx and vaspFrank Zhou114222017/05/18 09:27
by T. Ozaki
NEGF.tran.Kgridmmhs510262017/04/28 02:37
by mmhs
Phonon dispersion Fronquer313782017/04/25 07:27
by Kylin
polB SH110282017/04/22 00:42
by Naoya Yamaguchi
No current in NEGF calculationBill Guo712092017/04/20 13:20
by T. Ozaki
LCAO coefficients in real spherical harmonics, trasform into spherical harmonicsP49632017/04/20 13:10
by T. Ozaki
cell depictiontom.h18852017/04/12 18:18
by T. Ozaki
compiling issuesLuca211982017/04/09 21:45
by Luca
OpenMX input by OpenMX ViewerT. Ozaki012382017/04/08 10:43
by T. Ozaki
tips for NEGF calculations: Mulliken charges, basis sets, ghost atoms, convergencelzotti210122017/04/08 00:36
by lzotti
Can I optimize the "Optimized PAO"?Pui-Wai (Leo) Ma511742017/03/31 17:50
by Pui-Wai (Leo) Ma
gap calculation with homo-lumoMaedeh210942017/03/27 15:31
by Maedeh
weird output in ".dat#"Pui-Wai (Leo) Ma610872017/03/26 23:53
by Kylin
ERROR: Lapack routine DSTEQR failedPui-Wai (Leo) Ma213462017/03/26 18:27
by T. Ozaki
The misterious performance deteriorationKylin210542017/03/21 09:27
by T. Ozaki
Beginner's question for OpenMX 3.7A. Vogt312222017/03/20 21:47
by A. Vogt
openmx3.6amer29282017/03/15 15:25
by amer
Fatal error in NEGF runAndy1013062017/03/14 18:55
by Fronquer
leadsamin29482017/03/13 19:34
by Artem Pulkin
The Divergence of graphene calulcation in ESM model (ON2, M|V|M)Kylin113632017/03/11 09:33
by T. Ozaki
The strange Nan result for negf_example/Lead-L-8ZGNR-NC.datKylin517662017/03/11 09:21
by T. Ozaki
Another possible erratic problem in the Forcetest for F2_GGA.dat and GaAs_LDA.datKylin813132017/03/10 15:55
by T. Ozaki

Page: [1] [2] [3] [4] [5] [6] [7] [8] [9] [10] [11] [12] [13] [14] [15] [16] [17] [18] [19] [20] [21] [22] [23] [24] [25] [26] [27] [28]


Open Thread    Locked Thread    Alarm(More than 900 replies)   Message from Administrator


- Web Patio -