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Topics Author Replies Views Last Modified
Simulating point chargesDaniil26432017/06/27 22:57
by Daniil
Density matrices for NC DFTDaniil78022017/06/27 22:40
by Daniil
Dft-negfJeffri18002017/06/27 14:27
by T. Ozaki
STM imagesDaniel Souza15342017/06/27 14:08
by T. Ozaki
Re: electron g factor [SOLVED]Chris Latham28752017/06/24 22:26
by Chris Latham
band vs. cluster methodstata26822017/06/24 21:51
by tata
ELPA OpenMP/MPIPui-Wai (Leo) Ma16042017/06/24 17:22
by T. Ozaki
What is the local y-axis in Wannier calculationsP16042017/06/24 17:05
by T. Ozaki
Electronic entropy appears to be missingChris Latham26262017/06/19 04:35
by Chris Latham
The variable cell optimization of Bi2Te3huiyuan geng79912017/06/18 20:38
by Chris Latham
cluster & band calculationstata38202017/06/18 18:41
by tata
negfAsad67262017/06/08 06:22
by Reza
Wrong Uele for periodic system with large basisDaniil45792017/06/05 21:13
by Daniil
what is the purpose of -Dxt3 in the makefile? [SOLVED]Chris Latham25672017/06/01 19:44
by Chris Latham
variable cell optimizationmosahar67722017/06/01 17:18
by mosahar
Significant mismatch between the bandgap values computed by bandstructure and Dos (Not solved ...)AM88472017/05/28 12:05
by T. Ozaki
Bessel expansion of PAO/VPSArtem Pulkin58242017/05/24 09:45
by T. Ozaki
Memcpy argument memory ranges overlap with MPICH2 (SOLVED)Kylin120542017/05/24 09:26
by T. Ozaki
Output format of the stress tensorPascal Bliem17252017/05/23 17:36
by Yung Ting Lee
Segmentation fault in _IO_vfprintf with large basisDaniil412392017/05/19 05:02
by Daniil
Compile openMX with Intel Compiler and ACML math libraryKylin410312017/05/18 11:09
by T. Ozaki
how to compare the energy calculated from openmx and vaspFrank Zhou19132017/05/18 09:27
by T. Ozaki
NEGF.tran.Kgridmmhs56992017/04/28 02:37
by mmhs
Phonon dispersion Fronquer39542017/04/25 07:27
by Kylin
polB SH16932017/04/22 00:42
by Naoya Yamaguchi
No current in NEGF calculationBill Guo78742017/04/20 13:20
by T. Ozaki
LCAO coefficients in real spherical harmonics, trasform into spherical harmonicsP46502017/04/20 13:10
by T. Ozaki
cell depictiontom.h16282017/04/12 18:18
by T. Ozaki
compiling issuesLuca28292017/04/09 21:45
by Luca
OpenMX input by OpenMX ViewerT. Ozaki08492017/04/08 10:43
by T. Ozaki
tips for NEGF calculations: Mulliken charges, basis sets, ghost atoms, convergencelzotti27122017/04/08 00:36
by lzotti
Can I optimize the "Optimized PAO"?Pui-Wai (Leo) Ma57922017/03/31 17:50
by Pui-Wai (Leo) Ma
gap calculation with homo-lumoMaedeh27342017/03/27 15:31
by Maedeh
weird output in ".dat#"Pui-Wai (Leo) Ma67162017/03/26 23:53
by Kylin
ERROR: Lapack routine DSTEQR failedPui-Wai (Leo) Ma27932017/03/26 18:27
by T. Ozaki
The misterious performance deteriorationKylin27532017/03/21 09:27
by T. Ozaki
Beginner's question for OpenMX 3.7A. Vogt38182017/03/20 21:47
by A. Vogt
openmx3.6amer26192017/03/15 15:25
by amer
Fatal error in NEGF runAndy109522017/03/14 18:55
by Fronquer
leadsamin25942017/03/13 19:34
by Artem Pulkin
The Divergence of graphene calulcation in ESM model (ON2, M|V|M)Kylin19682017/03/11 09:33
by T. Ozaki
The strange Nan result for negf_example/Lead-L-8ZGNR-NC.datKylin514292017/03/11 09:21
by T. Ozaki
Another possible erratic problem in the Forcetest for F2_GGA.dat and GaAs_LDA.datKylin89492017/03/10 15:55
by T. Ozaki
OMXToolNaoya Yamaguchi19132017/03/10 00:03
by T. Ozaki
VPS and PAO gridsDaniil16662017/03/09 23:38
by T. Ozaki
cuda patchamer26582017/03/09 02:55
by amer
Patch 3.8.3 to OpenMX Ver. 3.8T. Ozaki05822017/03/08 15:01
by T. Ozaki
transmission(bias window)ebrahim18242017/03/08 11:28
by T. Ozaki
openmx-hksArtem Pulkin18542017/03/08 11:09
by T. Ozaki
Japanese manual of the OpenMX Ver. 3.8T. Ozaki06442017/03/08 01:27
by T. Ozaki

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