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

List of Threads

Topics Author Replies Views Last Modified
From AdministratorTaisuke Ozaki052762005/01/09 05:33
by Taisuke Ozaki
errors in Indium PAO file?Tomonori Tanaka2602018/08/15 07:27
by Tomonori Tanaka
OpenMX Exchange coupling parameter: J per each orbitalJ.S.Feng2692018/08/14 12:02
by Hongkee Yoon
NEGF with gate voltage for molecular junctionsDongzhe Li1492018/08/07 17:33
by T. Ozaki
Fermi level dependence on basis setDechamps Samuel3692018/08/07 17:18
by T. Ozaki
work function with ESM modeljiang5452018/08/03 04:14
by jiang
Different total energy: X and Z periodicity tested with 1D carbon-chainDongzhe Li2492018/07/20 14:20
by Dongzhe Li
ERROR key=MD.Type The number of threads in each node for OpenMP parallelization is 1hashem.sina2382018/07/20 11:26
by Mitsuaki Kawamura
ERROR: PAOs of lead atoms can overlap only to the next nearest region.M.Sh2412018/07/20 08:10
by M.Sh
input files for periodic system under zero biasFrank3962018/07/15 12:00
by Frank
Unit in the exchange coupling calculationPui-Wai Ma1552018/07/11 05:28
by Pui-Wai Ma
convergence for ESM calculation with on2+EFjiang4962018/06/27 06:24
by jiang
error in make allsara.shafaei1652018/06/20 01:26
by Naoya Yamaguchi
calculations of Z2 and Chern numberWenliang Liu11152018/06/16 12:03
by T. Ozaki
Geometry optimization of metal slab yields nan forcesDechamps Samuel91272018/06/12 23:39
by Dechamps Samuel
How to solve this problem:APPLICATION TERMINATED WITH THE EXIT STRING: Killed (signal 9)xmzhang1902018/06/12 10:12
by T. Ozaki
Patch 3.8.5 to OpenMX Ver. 3.8T. Ozaki01082018/06/12 10:05
by T. Ozaki
transport direction for thin filmPrashant21152018/06/11 22:50
by T. Ozaki
a bad relaxed structure from the RFC5 geometry optimizaitonJack2752018/06/05 09:18
by Jack
Work Function of grapheneRenato21082018/05/26 00:02
by Renato
How to plot Vhart in a given direction.Carlos2782018/05/23 03:16
by Carlos
Step3 of Transport Calculation is not successfulMobin51272018/05/22 02:04
by Naoya Yamaguchi
Error in installationM.S2962018/05/21 23:41
by M.S
Can it be calculated across a node? That is, cluster testing xuanlv0682018/05/10 10:17
by xuanlv
Running the example of Cr2_CNC.dat program is reporting errorslucky61042018/05/09 20:46
by lucky
phononic spectraRiemann0962018/05/08 16:29
by Riemann
How to determine the Euler angle in Atoms.SpeciesAndCoordinateslucky71142018/05/05 18:02
by lucky
Absolute eigenvalue's index in conjunction with Absolute eigenvalue and Chemical PotentialRiemann1852018/05/02 00:59
by Naoya Yamaguchi
add_gcube.cRiemann51012018/05/01 16:48
by Riemann
num.LUMORiemann6952018/05/01 16:43
by Riemann
TranMain and cluster calculationslz01022018/04/27 14:11
by lz
Hardware configuration requirements for the serverxuanlv 0742018/04/27 11:24
by xuanlv
scf convergence problem in GaFeO3reza0992018/04/23 01:33
by reza
Convergence problem in magnetic slab calculationEike F. Schwier53292018/04/22 22:34
by reza
Spin-orbit interaction and electron structure in NCDFTDaniil104602018/04/19 04:02
by Daniil
SCF Convergence Error for Antiferromagnetic Nd2CuO4Reza01072018/04/06 00:07
by Reza
Using adpack to include core-level Eike F. Schwier22152018/04/05 07:35
by Eike F. Schwier
NPA calculation errorReza12212018/04/04 14:16
by Reza
Patch 3.8.4Reza01192018/04/03 02:32
by Reza
QTAIM in OPENMXReza01182018/04/03 00:35
by Reza
Convergence and time-consuming issues of large-scale calculationsxmzhang21182018/04/02 15:50
by xmzhang
oxygen atom's optimized PAO similar to 6-31++G** of GTO codesReza61692018/04/02 08:37
by T. Ozaki
OPENMX support GPUfurtrue12902018/03/28 12:55
by T. Ozaki
Convergence and time-consuming issues of large-scale calculations xmzhang21642018/03/26 11:37
by xmzhang
The memory size can be reduced by a hybrid parallel methodfurtrue11232018/03/23 21:41
by T. Ozaki
Constrained optimizationHashmi81792018/03/23 11:36
by Hashmi
Should the constrained spin direction and orbital moment direction be same ?Santu Baidya11272018/03/23 01:13
by T. Ozaki
LCAO coefficients and overlaps from HS.scfout file are connected?P21282018/03/21 05:38
by P
exchange coupling constants error ycwu01422018/03/13 16:18
by ycwu
Problem in Geometry OptimizationReza43552018/03/12 21:25
by Reza

Page: [1] [2] [3] [4] [5] [6] [7] [8] [9] [10] [11] [12] [13] [14] [15] [16] [17] [18] [19]


Open Thread    Locked Thread    Alarm(More than 90 replies)   Message from Administrator


- Web Patio -