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

List of Threads

Topics Author Replies Views Last Modified
GGA+Ureza09012019/05/23 18:45
by reza
convergence for ESM calculation with on4 in HfO2Z Jiang08852019/05/18 06:40
by Z Jiang
Zeeman term in the OpenMx is not working!Santu Baidya39302019/05/15 11:23
by Santu Baidya
Memory ConsumptionReza38182019/05/03 02:42
by Reza
SCFOUT Error - Hamiltonian incorrectly saved for MD.Type OptJ. Chapman1111952019/04/04 01:29
by J. Chapman
The problem of RF constrained optimization with patch 3.8.4 and 3.8.5Alisa49642019/03/27 00:40
by Naoya Yamaguchi
installation errorHaider Abbas511612019/03/15 05:12
by Naoya Yamaguchi
Error occurs when NEB calculation runs with DFT-D3Kunihiro Yananose29882019/03/05 13:57
by Kunihiro Yananose
Graphene Band CalculationsLovleen Kaur521772019/02/09 03:21
by Naoya Yamaguchi
How to apply periodic boundary conditionssanjeev413872019/02/08 23:03
by Kylin
JRCAT 244p and JAIST 2122pJ. Chapman110042019/01/29 19:15
by Naoya Yamaguchi
NEGF for a thin filmSachin09272018/12/26 23:49
by Sachin
negf optimizationmath07992018/12/26 18:25
by math
Anomalies in bandstructure of NdAlO3Aleksey110052018/12/18 08:46
by Aleksey
Controlling SOC strengthjhong616922018/11/27 15:09
by jhong
The output file is not updatedxuemei08062018/11/26 10:38
by xuemei
The problems of constrained optimization with EFxm410962018/11/20 23:23
by xm
The problem about NEGF calculationWeiqi Li411352018/11/08 17:03
by Weiqi Li
PAO questionWeiqi Li19862018/11/07 18:22
by Weiqi Li
projected direction in pdosMaedeh08632018/10/18 02:20
by Maedeh
transition probability calculation for metal cluster (rare metal)Manabu Inukai29522018/10/17 14:48
by Manabu Inukai
Electric field perpendicular to 2D materialssabike111922018/10/13 00:54
by Po-Hao
convergence of optimizationsabike213262018/10/11 23:07
by sabike
How to calculate charge density and deformation charge density with openmxxm010442018/10/11 09:17
by xm
compilation error: openmx 3.8Renato 1140522018/10/11 02:35
by Renato
planar-averaged electrostatic potential Po-Hao547962018/10/09 12:00
by Naoya Yamaguchi
Transport direction in 2D slab NEGF calculationZHOU Jiaqi011252018/09/28 14:59
by ZHOU Jiaqi
transport direction for thin filmPrashant412732018/09/14 12:57
by Prashant
Vacancy study with OpenMxSamuel Dechamps110012018/09/13 13:00
by Naoya Yamaguchi
Patches to apply to build OpenMX with clangYuri010002018/09/11 11:19
by Yuri
NEGF vs Surface Green's function calculationEike F. Schwier010862018/09/06 12:44
by Eike F. Schwier
A question on vdW parameter ‘DFTD.IntDirection'ZHOU Jiaqi110122018/08/30 22:16
by T. Ozaki
errors in Indium PAO file?Tomonori Tanaka29762018/08/15 07:27
by Tomonori Tanaka
OpenMX Exchange coupling parameter: J per each orbitalJ.S.Feng215382018/08/14 12:02
by Hongkee Yoon
NEGF with gate voltage for molecular junctionsDongzhe Li110972018/08/07 17:33
by T. Ozaki
Fermi level dependence on basis setDechamps Samuel312112018/08/07 17:18
by T. Ozaki
work function with ESM modeljiang515222018/08/03 04:14
by jiang
Different total energy: X and Z periodicity tested with 1D carbon-chainDongzhe Li29392018/07/20 14:20
by Dongzhe Li
ERROR key=MD.Type The number of threads in each node for OpenMP parallelization is 1hashem.sina224992018/07/20 11:26
by Mitsuaki Kawamura
ERROR: PAOs of lead atoms can overlap only to the next nearest region.M.Sh212442018/07/20 08:10
by M.Sh
input files for periodic system under zero biasFrank311882018/07/15 12:00
by Frank
Unit in the exchange coupling calculationPui-Wai Ma110082018/07/11 05:28
by Pui-Wai Ma
convergence for ESM calculation with on2+EFjiang412162018/06/27 06:24
by jiang
error in make allsara.shafaei121392018/06/20 01:26
by Naoya Yamaguchi
calculations of Z2 and Chern numberWenliang Liu111762018/06/16 12:03
by T. Ozaki
Geometry optimization of metal slab yields nan forcesDechamps Samuel913882018/06/12 23:39
by Dechamps Samuel
How to solve this problem:APPLICATION TERMINATED WITH THE EXIT STRING: Killed (signal 9)xmzhang110082018/06/12 10:12
by T. Ozaki
Patch 3.8.5 to OpenMX Ver. 3.8T. Ozaki010132018/06/12 10:05
by T. Ozaki
a bad relaxed structure from the RFC5 geometry optimizaitonJack211502018/06/05 09:18
by Jack
Work Function of grapheneRenato211442018/05/26 00:02
by Renato

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] [29] [30]


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


- Web Patio -