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Topics Author Replies Views Last Modified
The variable cell optimization of Bi2Te3huiyuan geng75772017/06/18 20:38
by Chris Latham
cluster & band calculationstata35332017/06/18 18:41
by tata
negfAsad65342017/06/08 06:22
by Reza
Wrong Uele for periodic system with large basisDaniil43892017/06/05 21:13
by Daniil
what is the purpose of -Dxt3 in the makefile? [SOLVED]Chris Latham23882017/06/01 19:44
by Chris Latham
variable cell optimizationmosahar65082017/06/01 17:18
by mosahar
Significant mismatch between the bandgap values computed by bandstructure and Dos (Not solved ...)AM85712017/05/28 12:05
by T. Ozaki
Bessel expansion of PAO/VPSArtem Pulkin55342017/05/24 09:45
by T. Ozaki
Memcpy argument memory ranges overlap with MPICH2 (SOLVED)Kylin112642017/05/24 09:26
by T. Ozaki
Output format of the stress tensorPascal Bliem14592017/05/23 17:36
by Yung Ting Lee
Segmentation fault in _IO_vfprintf with large basisDaniil46972017/05/19 05:02
by Daniil
Compile openMX with Intel Compiler and ACML math libraryKylin47122017/05/18 11:09
by T. Ozaki
how to compare the energy calculated from openmx and vaspFrank Zhou15882017/05/18 09:27
by T. Ozaki
NEGF.tran.Kgridmmhs54912017/04/28 02:37
by mmhs
Phonon dispersion Fronquer35802017/04/25 07:27
by Kylin
polB SH14962017/04/22 00:42
by Naoya Yamaguchi
No current in NEGF calculationBill Guo76112017/04/20 13:20
by T. Ozaki
LCAO coefficients in real spherical harmonics, trasform into spherical harmonicsP44262017/04/20 13:10
by T. Ozaki
cell depictiontom.h14292017/04/12 18:18
by T. Ozaki
compiling issuesLuca25032017/04/09 21:45
by Luca
OpenMX input by OpenMX ViewerT. Ozaki05972017/04/08 10:43
by T. Ozaki
tips for NEGF calculations: Mulliken charges, basis sets, ghost atoms, convergencelzotti25002017/04/08 00:36
by lzotti
Can I optimize the "Optimized PAO"?Pui-Wai (Leo) Ma55552017/03/31 17:50
by Pui-Wai (Leo) Ma
gap calculation with homo-lumoMaedeh24902017/03/27 15:31
by Maedeh
weird output in ".dat#"Pui-Wai (Leo) Ma64902017/03/26 23:53
by Kylin
ERROR: Lapack routine DSTEQR failedPui-Wai (Leo) Ma24542017/03/26 18:27
by T. Ozaki
The misterious performance deteriorationKylin25072017/03/21 09:27
by T. Ozaki
Beginner's question for OpenMX 3.7A. Vogt35702017/03/20 21:47
by A. Vogt
openmx3.6amer24192017/03/15 15:25
by amer
Fatal error in NEGF runAndy107022017/03/14 18:55
by Fronquer
leadsamin24042017/03/13 19:34
by Artem Pulkin
The Divergence of graphene calulcation in ESM model (ON2, M|V|M)Kylin17132017/03/11 09:33
by T. Ozaki
The strange Nan result for negf_example/Lead-L-8ZGNR-NC.datKylin57612017/03/11 09:21
by T. Ozaki
Another possible erratic problem in the Forcetest for F2_GGA.dat and GaAs_LDA.datKylin86882017/03/10 15:55
by T. Ozaki
OMXToolNaoya Yamaguchi16052017/03/10 00:03
by T. Ozaki
VPS and PAO gridsDaniil14542017/03/09 23:38
by T. Ozaki
cuda patchamer24572017/03/09 02:55
by amer
Patch 3.8.3 to OpenMX Ver. 3.8T. Ozaki04112017/03/08 15:01
by T. Ozaki
transmission(bias window)ebrahim15352017/03/08 11:28
by T. Ozaki
openmx-hksArtem Pulkin15612017/03/08 11:09
by T. Ozaki
Japanese manual of the OpenMX Ver. 3.8T. Ozaki04762017/03/08 01:27
by T. Ozaki
Spin density and charge transferAsad25272017/03/04 04:48
by Asad
openmx-3.8.1 and the latest ELPAmarcindulak15692017/03/02 22:49
by T. Ozaki
Patch 3.8.2 to OpenMX Ver. 3.8T. Ozaki05382017/03/02 22:40
by T. Ozaki
OpenMX 3.8 compiling errorShinya Tsukamoto36422017/03/02 22:38
by T. Ozaki
Berry phase calculation failureJohn Sham19002017/03/02 22:34
by T. Ozaki
convergence-graphene sheetDeniz46292017/03/02 21:43
by T. Ozaki
DFT-D3 for grapheneS Dechamps17922017/03/02 14:51
by T. Ozaki
Open Coredch24702017/03/02 13:51
by T. Ozaki
non-collinear anglesRoman Borovic16232017/03/02 11:53
by T. Ozaki

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