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From AdministratorTaisuke Ozaki055062005/01/09 05:33
by Taisuke Ozaki
free sample cutting disc installation and operation?yang huimin032019/04/19 20:35
by yang huimin
Vdw-d3(bj) for 'band' calculationNikolai2412019/04/08 15:25
by Nikolai
SCFOUT Error - Hamiltonian incorrectly saved for MD.Type OptJ. Chapman11652019/04/04 01:29
by J. Chapman
The problem of RF constrained optimization with patch 3.8.4 and 3.8.5Alisa4392019/03/27 00:40
by Naoya Yamaguchi
installation errorHaider Abbas5622019/03/15 05:12
by Naoya Yamaguchi
Hamiltonian matrix fileMaedeh2872019/03/05 20:15
by Maedeh
Error occurs when NEB calculation runs with DFT-D3Kunihiro Yananose2812019/03/05 13:57
by Kunihiro Yananose
Graphene Band CalculationsLovleen Kaur52402019/02/09 03:21
by Naoya Yamaguchi
How to apply periodic boundary conditionssanjeev41222019/02/08 23:03
by Kylin
JRCAT 244p and JAIST 2122pJ. Chapman11792019/01/29 19:15
by Naoya Yamaguchi
How to normalize charge density calculated from HOMO-LUMOEike F. Schwier2862019/01/24 14:39
by Eike F. Schwier
NEGF for a thin filmSachin01152018/12/26 23:49
by Sachin
negf optimizationmath0832018/12/26 18:25
by math
Anomalies in bandstructure of NdAlO3Aleksey11532018/12/18 08:46
by Aleksey
Controlling SOC strengthjhong62142018/11/27 15:09
by jhong
The output file is not updatedxuemei0982018/11/26 10:38
by xuemei
The problems of constrained optimization with EFxm41782018/11/20 23:23
by xm
The problem about NEGF calculationWeiqi Li42022018/11/08 17:03
by Weiqi Li
PAO questionWeiqi Li11532018/11/07 18:22
by Weiqi Li
projected direction in pdosMaedeh01372018/10/18 02:20
by Maedeh
transition probability calculation for metal cluster (rare metal)Manabu Inukai21412018/10/17 14:48
by Manabu Inukai
Electric field perpendicular to 2D materialssabike12202018/10/13 00:54
by Po-Hao
convergence of optimizationsabike22112018/10/11 23:07
by sabike
How to calculate charge density and deformation charge density with openmxxm01682018/10/11 09:17
by xm
compilation error: openmx 3.8Renato 113342018/10/11 02:35
by Renato
planar-averaged electrostatic potential Po-Hao53042018/10/09 12:00
by Naoya Yamaguchi
Transport direction in 2D slab NEGF calculationZHOU Jiaqi01812018/09/28 14:59
by ZHOU Jiaqi
transport direction for thin filmPrashant44262018/09/14 12:57
by Prashant
Vacancy study with OpenMxSamuel Dechamps12162018/09/13 13:00
by Naoya Yamaguchi
Patches to apply to build OpenMX with clangYuri01742018/09/11 11:19
by Yuri
NEGF vs Surface Green's function calculationEike F. Schwier02162018/09/06 12:44
by Eike F. Schwier
A question on vdW parameter ‘DFTD.IntDirection'ZHOU Jiaqi11672018/08/30 22:16
by T. Ozaki
errors in Indium PAO file?Tomonori Tanaka22462018/08/15 07:27
by Tomonori Tanaka
OpenMX Exchange coupling parameter: J per each orbitalJ.S.Feng23552018/08/14 12:02
by Hongkee Yoon
NEGF with gate voltage for molecular junctionsDongzhe Li12542018/08/07 17:33
by T. Ozaki
Fermi level dependence on basis setDechamps Samuel32662018/08/07 17:18
by T. Ozaki
work function with ESM modeljiang53102018/08/03 04:14
by jiang
Different total energy: X and Z periodicity tested with 1D carbon-chainDongzhe Li22112018/07/20 14:20
by Dongzhe Li
ERROR key=MD.Type The number of threads in each node for OpenMP parallelization is 1hashem.sina22152018/07/20 11:26
by Mitsuaki Kawamura
ERROR: PAOs of lead atoms can overlap only to the next nearest region.M.Sh22172018/07/20 08:10
by M.Sh
input files for periodic system under zero biasFrank32862018/07/15 12:00
by Frank
Unit in the exchange coupling calculationPui-Wai Ma12102018/07/11 05:28
by Pui-Wai Ma
convergence for ESM calculation with on2+EFjiang42922018/06/27 06:24
by jiang
error in make allsara.shafaei12682018/06/20 01:26
by Naoya Yamaguchi
calculations of Z2 and Chern numberWenliang Liu13452018/06/16 12:03
by T. Ozaki
Geometry optimization of metal slab yields nan forcesDechamps Samuel93652018/06/12 23:39
by Dechamps Samuel
How to solve this problem:APPLICATION TERMINATED WITH THE EXIT STRING: Killed (signal 9)xmzhang18102018/06/12 10:12
by T. Ozaki
Patch 3.8.5 to OpenMX Ver. 3.8T. Ozaki03132018/06/12 10:05
by T. Ozaki
a bad relaxed structure from the RFC5 geometry optimizaitonJack22422018/06/05 09:18
by Jack

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