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Topics Author Replies Views Last Modified
mpich & openmpitata220222017/08/03 17:40
by tata
exchange couplingtata116792017/08/01 22:48
by T. Ozaki
OpenFFT non-orthogonal boxPui-Wai (Leo) Ma113922017/08/01 22:46
by T. Ozaki
Convergence problem?Asako Terasawa527792017/08/01 18:07
by Asako Terasawa
External pseudopotentials and large structuresDaniil1321852017/07/17 03:57
by Daniil
Dipole Moment CorrectionSomesh Bhattacharya118542017/07/15 00:11
by Christopher Latham
How to assign Hubbard U values to the two d basis orbitals of Fe atom (LDA+U)?Xiangyang Peng428652017/07/06 11:14
by Xiangyang Peng
about Charge doping ?Viet Hung Nguyen621382017/07/05 02:43
by Viet Hung Nguyen
unable to make VPS for C with adpack (segmentation fault) [CONFIRMED]Chris Latham1023232017/07/03 01:16
by Daniil
Simulating point chargesDaniil217512017/06/27 22:57
by Daniil
Density matrices for NC DFTDaniil720372017/06/27 22:40
by Daniil
Dft-negfJeffri116302017/06/27 14:27
by T. Ozaki
STM imagesDaniel Souza114732017/06/27 14:08
by T. Ozaki
Re: electron g factor [SOLVED]Chris Latham223362017/06/24 22:26
by Chris Latham
band vs. cluster methodstata216182017/06/24 21:51
by tata
ELPA OpenMP/MPIPui-Wai (Leo) Ma115552017/06/24 17:22
by T. Ozaki
What is the local y-axis in Wannier calculationsP116392017/06/24 17:05
by T. Ozaki
Electronic entropy appears to be missingChris Latham217252017/06/19 04:35
by Chris Latham
The variable cell optimization of Bi2Te3huiyuan geng723612017/06/18 20:38
by Chris Latham
cluster & band calculationstata320522017/06/18 18:41
by tata
negfAsad616162017/06/08 06:22
by Reza
Wrong Uele for periodic system with large basisDaniil414792017/06/05 21:13
by Daniil
what is the purpose of -Dxt3 in the makefile? [SOLVED]Chris Latham215702017/06/01 19:44
by Chris Latham
variable cell optimizationmosahar618992017/06/01 17:18
by mosahar
Significant mismatch between the bandgap values computed by bandstructure and Dos (Not solved ...)AM818622017/05/28 12:05
by T. Ozaki
Bessel expansion of PAO/VPSArtem Pulkin518492017/05/24 09:45
by T. Ozaki
Memcpy argument memory ranges overlap with MPICH2 (SOLVED)Kylin139712017/05/24 09:26
by T. Ozaki
Output format of the stress tensorPascal Bliem117262017/05/23 17:36
by Yung Ting Lee
Segmentation fault in _IO_vfprintf with large basisDaniil426602017/05/19 05:02
by Daniil
Compile openMX with Intel Compiler and ACML math libraryKylin420752017/05/18 11:09
by T. Ozaki
how to compare the energy calculated from openmx and vaspFrank Zhou126872017/05/18 09:27
by T. Ozaki
NEGF.tran.Kgridmmhs516632017/04/28 02:37
by mmhs
Phonon dispersion Fronquer321342017/04/25 07:27
by Kylin
polB SH116762017/04/22 00:42
by Naoya Yamaguchi
No current in NEGF calculationBill Guo718982017/04/20 13:20
by T. Ozaki
LCAO coefficients in real spherical harmonics, trasform into spherical harmonicsP417262017/04/20 13:10
by T. Ozaki
cell depictiontom.h114542017/04/12 18:18
by T. Ozaki
compiling issuesLuca217782017/04/09 21:45
by Luca
OpenMX input by OpenMX ViewerT. Ozaki019502017/04/08 10:43
by T. Ozaki
tips for NEGF calculations: Mulliken charges, basis sets, ghost atoms, convergencelzotti216442017/04/08 00:36
by lzotti
Can I optimize the "Optimized PAO"?Pui-Wai (Leo) Ma518072017/03/31 17:50
by Pui-Wai (Leo) Ma
gap calculation with homo-lumoMaedeh220032017/03/27 15:31
by Maedeh
weird output in ".dat#"Pui-Wai (Leo) Ma619022017/03/26 23:53
by Kylin
ERROR: Lapack routine DSTEQR failedPui-Wai (Leo) Ma221872017/03/26 18:27
by T. Ozaki
The misterious performance deteriorationKylin217362017/03/21 09:27
by T. Ozaki
Beginner's question for OpenMX 3.7A. Vogt320312017/03/20 21:47
by A. Vogt
openmx3.6amer214542017/03/15 15:25
by amer
Fatal error in NEGF runAndy1020802017/03/14 18:55
by Fronquer
leadsamin215362017/03/13 19:34
by Artem Pulkin
The Divergence of graphene calulcation in ESM model (ON2, M|V|M)Kylin120582017/03/11 09:33
by T. Ozaki

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