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Topics Author Replies Views Last Modified
Questions about functionalsAleksey012292019/06/06 20:57
by Aleksey
Some Suggestions about new versionReza113072019/05/30 05:57
by Po-Hao Chang
Installation of OpenMX in IUAC cluster server Vicky1415472019/05/30 02:54
by Naoya Yamaguchi
Cell optimization with Krylov subspace methodPavel Ondračka010162019/05/28 20:18
by Pavel Ondračka
GGA+Ureza011292019/05/23 18:45
by reza
convergence for ESM calculation with on4 in HfO2Z Jiang011122019/05/18 06:40
by Z Jiang
Zeeman term in the OpenMx is not working!Santu Baidya311642019/05/15 11:23
by Santu Baidya
Memory ConsumptionReza310382019/05/03 02:42
by Reza
SCFOUT Error - Hamiltonian incorrectly saved for MD.Type OptJ. Chapman1115232019/04/04 01:29
by J. Chapman
The problem of RF constrained optimization with patch 3.8.4 and 3.8.5Alisa412152019/03/27 00:40
by Naoya Yamaguchi
installation errorHaider Abbas514312019/03/15 05:12
by Naoya Yamaguchi
Error occurs when NEB calculation runs with DFT-D3Kunihiro Yananose212472019/03/05 13:57
by Kunihiro Yananose
Graphene Band CalculationsLovleen Kaur525632019/02/09 03:21
by Naoya Yamaguchi
How to apply periodic boundary conditionssanjeev417272019/02/08 23:03
by Kylin
JRCAT 244p and JAIST 2122pJ. Chapman112322019/01/29 19:15
by Naoya Yamaguchi
NEGF for a thin filmSachin011512018/12/26 23:49
by Sachin
negf optimizationmath010192018/12/26 18:25
by math
Anomalies in bandstructure of NdAlO3Aleksey112072018/12/18 08:46
by Aleksey
Controlling SOC strengthjhong621122018/11/27 15:09
by jhong
The output file is not updatedxuemei010222018/11/26 10:38
by xuemei
The problems of constrained optimization with EFxm413512018/11/20 23:23
by xm
The problem about NEGF calculationWeiqi Li413662018/11/08 17:03
by Weiqi Li
PAO questionWeiqi Li111962018/11/07 18:22
by Weiqi Li
projected direction in pdosMaedeh010942018/10/18 02:20
by Maedeh
transition probability calculation for metal cluster (rare metal)Manabu Inukai212342018/10/17 14:48
by Manabu Inukai
Electric field perpendicular to 2D materialssabike115662018/10/13 00:54
by Po-Hao
convergence of optimizationsabike215862018/10/11 23:07
by sabike
How to calculate charge density and deformation charge density with openmxxm012762018/10/11 09:17
by xm
compilation error: openmx 3.8Renato 1143882018/10/11 02:35
by Renato
planar-averaged electrostatic potential Po-Hao557002018/10/09 12:00
by Naoya Yamaguchi
Transport direction in 2D slab NEGF calculationZHOU Jiaqi013632018/09/28 14:59
by ZHOU Jiaqi
transport direction for thin filmPrashant415072018/09/14 12:57
by Prashant
Vacancy study with OpenMxSamuel Dechamps112292018/09/13 13:00
by Naoya Yamaguchi
Patches to apply to build OpenMX with clangYuri012492018/09/11 11:19
by Yuri
NEGF vs Surface Green's function calculationEike F. Schwier013372018/09/06 12:44
by Eike F. Schwier
A question on vdW parameter ‘DFTD.IntDirection'ZHOU Jiaqi113042018/08/30 22:16
by T. Ozaki
errors in Indium PAO file?Tomonori Tanaka211852018/08/15 07:27
by Tomonori Tanaka
OpenMX Exchange coupling parameter: J per each orbitalJ.S.Feng218042018/08/14 12:02
by Hongkee Yoon
NEGF with gate voltage for molecular junctionsDongzhe Li114222018/08/07 17:33
by T. Ozaki
Fermi level dependence on basis setDechamps Samuel314832018/08/07 17:18
by T. Ozaki
work function with ESM modeljiang520012018/08/03 04:14
by jiang
Different total energy: X and Z periodicity tested with 1D carbon-chainDongzhe Li211572018/07/20 14:20
by Dongzhe Li
ERROR key=MD.Type The number of threads in each node for OpenMP parallelization is 1hashem.sina227792018/07/20 11:26
by Mitsuaki Kawamura
ERROR: PAOs of lead atoms can overlap only to the next nearest region.M.Sh215402018/07/20 08:10
by M.Sh
input files for periodic system under zero biasFrank315412018/07/15 12:00
by Frank
Unit in the exchange coupling calculationPui-Wai Ma112562018/07/11 05:28
by Pui-Wai Ma
convergence for ESM calculation with on2+EFjiang414802018/06/27 06:24
by jiang
error in make allsara.shafaei126682018/06/20 01:26
by Naoya Yamaguchi
calculations of Z2 and Chern numberWenliang Liu114292018/06/16 12:03
by T. Ozaki
Geometry optimization of metal slab yields nan forcesDechamps Samuel916652018/06/12 23:39
by Dechamps Samuel

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