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From AdministratorTaisuke Ozaki052122005/01/09 05:33
by Taisuke Ozaki
calculations of Z2 and Chern numberWenliang Liu1252018/06/16 12:03
by T. Ozaki
Geometry optimization of metal slab yields nan forcesDechamps Samuel9552018/06/12 23:39
by Dechamps Samuel
How to solve this problem:APPLICATION TERMINATED WITH THE EXIT STRING: Killed (signal 9)xmzhang1252018/06/12 10:12
by T. Ozaki
Patch 3.8.5 to OpenMX Ver. 3.8T. Ozaki0332018/06/12 10:05
by T. Ozaki
transport direction for thin filmPrashant2592018/06/11 22:50
by T. Ozaki
a bad relaxed structure from the RFC5 geometry optimizaitonJack2272018/06/05 09:18
by Jack
Work Function of grapheneRenato2462018/05/26 00:02
by Renato
How to plot Vhart in a given direction.Carlos2362018/05/23 03:16
by Carlos
Step3 of Transport Calculation is not successfulMobin5782018/05/22 02:04
by Naoya Yamaguchi
Error in installationM.S2332018/05/21 23:41
by M.S
Can it be calculated across a node? That is, cluster testing xuanlv0312018/05/10 10:17
by xuanlv
Running the example of Cr2_CNC.dat program is reporting errorslucky6592018/05/09 20:46
by lucky
phononic spectraRiemann0512018/05/08 16:29
by Riemann
How to determine the Euler angle in Atoms.SpeciesAndCoordinateslucky7692018/05/05 18:02
by lucky
Absolute eigenvalue's index in conjunction with Absolute eigenvalue and Chemical PotentialRiemann1472018/05/02 00:59
by Naoya Yamaguchi
add_gcube.cRiemann5572018/05/01 16:48
by Riemann
num.LUMORiemann6542018/05/01 16:43
by Riemann
TranMain and cluster calculationslz0512018/04/27 14:11
by lz
Hardware configuration requirements for the serverxuanlv 0342018/04/27 11:24
by xuanlv
scf convergence problem in GaFeO3reza0552018/04/23 01:33
by reza
Convergence problem in magnetic slab calculationEike F. Schwier52742018/04/22 22:34
by reza
Spin-orbit interaction and electron structure in NCDFTDaniil104072018/04/19 04:02
by Daniil
SCF Convergence Error for Antiferromagnetic Nd2CuO4Reza0712018/04/06 00:07
by Reza
Using adpack to include core-level Eike F. Schwier21652018/04/05 07:35
by Eike F. Schwier
NPA calculation errorReza11772018/04/04 14:16
by Reza
Patch 3.8.4Reza0792018/04/03 02:32
by Reza
QTAIM in OPENMXReza0742018/04/03 00:35
by Reza
Convergence and time-consuming issues of large-scale calculationsxmzhang2772018/04/02 15:50
by xmzhang
oxygen atom's optimized PAO similar to 6-31++G** of GTO codesReza61292018/04/02 08:37
by T. Ozaki
OPENMX support GPUfurtrue11102018/03/28 12:55
by T. Ozaki
Convergence and time-consuming issues of large-scale calculations xmzhang21232018/03/26 11:37
by xmzhang
The memory size can be reduced by a hybrid parallel methodfurtrue1792018/03/23 21:41
by T. Ozaki
Constrained optimizationHashmi81242018/03/23 11:36
by Hashmi
Should the constrained spin direction and orbital moment direction be same ?Santu Baidya1792018/03/23 01:13
by T. Ozaki
LCAO coefficients and overlaps from HS.scfout file are connected?P2782018/03/21 05:38
by P
exchange coupling constants error ycwu0982018/03/13 16:18
by ycwu
Problem in Geometry OptimizationReza43052018/03/12 21:25
by Reza
error message(NEGF calculation)Yukinori Sakamoto52752018/03/05 13:43
by T. Ozaki
Patch 3.8.4 to OpenMX Ver. 3.8T. Ozaki01402018/03/05 13:33
by T. Ozaki
NEGF calculations.Hashmi51402018/03/05 13:13
by T. Ozaki
undefined reference to Riemann11572018/03/04 21:18
by T. Ozaki
tunneling transport processBoshra11542018/03/04 21:11
by T. Ozaki
Is exchange parameter calculated from band energy Uele ?Min Yi12382018/03/04 08:13
by T. Ozaki
Where does the discontinuity of the applied electric sawtooth potential occur in the super cell?Xiangyang Peng43172018/03/02 15:10
by T. Ozaki
problem while cmpiling openmx3.8 with intel 2015 fang liwen1992018/03/02 15:06
by T. Ozaki
a limit to the number of atomsfxj1892018/03/02 14:55
by T. Ozaki
The total size of the input file xuanlv1962018/03/02 14:53
by T. Ozaki
System.Name.conductancesatoru tanibayashi11162018/03/02 14:40
by T. Ozaki
Convergence problem in scf using HubbardMohammad11522018/02/23 18:45
by T. Ozaki

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