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From AdministratorTaisuke Ozaki052532005/01/09 05:33
by Taisuke Ozaki
ERROR: PAOs of lead atoms can overlap only to the next nearest region.M.Sh052018/07/19 00:47
by M.Sh
Fermi level dependence on basis setDechamps Samuel2262018/07/18 00:52
by Dechamps Samuel
OpenMX Exchange coupling parameter: J per each orbitalJ.S.Feng0242018/07/14 16:39
by J.S.Feng
input files for periodic system under zero biasFrank3712018/07/15 12:00
by Frank
Unit in the exchange coupling calculationPui-Wai Ma1292018/07/11 05:28
by Pui-Wai Ma
errors in Indium PAO file?Tomonori Tanaka0342018/06/29 17:46
by Tomonori Tanaka
convergence for ESM calculation with on2+EFjiang4722018/06/27 06:24
by jiang
error in make allsara.shafaei1432018/06/20 01:26
by Naoya Yamaguchi
calculations of Z2 and Chern numberWenliang Liu1872018/06/16 12:03
by T. Ozaki
Geometry optimization of metal slab yields nan forcesDechamps Samuel9982018/06/12 23:39
by Dechamps Samuel
How to solve this problem:APPLICATION TERMINATED WITH THE EXIT STRING: Killed (signal 9)xmzhang1682018/06/12 10:12
by T. Ozaki
Patch 3.8.5 to OpenMX Ver. 3.8T. Ozaki0852018/06/12 10:05
by T. Ozaki
transport direction for thin filmPrashant2962018/06/11 22:50
by T. Ozaki
a bad relaxed structure from the RFC5 geometry optimizaitonJack2562018/06/05 09:18
by Jack
Work Function of grapheneRenato2782018/05/26 00:02
by Renato
How to plot Vhart in a given direction.Carlos2642018/05/23 03:16
by Carlos
Step3 of Transport Calculation is not successfulMobin51082018/05/22 02:04
by Naoya Yamaguchi
Error in installationM.S2742018/05/21 23:41
by M.S
Can it be calculated across a node? That is, cluster testing xuanlv0552018/05/10 10:17
by xuanlv
Running the example of Cr2_CNC.dat program is reporting errorslucky6902018/05/09 20:46
by lucky
phononic spectraRiemann0782018/05/08 16:29
by Riemann
How to determine the Euler angle in Atoms.SpeciesAndCoordinateslucky7962018/05/05 18:02
by lucky
Absolute eigenvalue's index in conjunction with Absolute eigenvalue and Chemical PotentialRiemann1702018/05/02 00:59
by Naoya Yamaguchi
add_gcube.cRiemann5842018/05/01 16:48
by Riemann
num.LUMORiemann6792018/05/01 16:43
by Riemann
TranMain and cluster calculationslz0862018/04/27 14:11
by lz
Hardware configuration requirements for the serverxuanlv 0592018/04/27 11:24
by xuanlv
scf convergence problem in GaFeO3reza0832018/04/23 01:33
by reza
Convergence problem in magnetic slab calculationEike F. Schwier53102018/04/22 22:34
by reza
Spin-orbit interaction and electron structure in NCDFTDaniil104442018/04/19 04:02
by Daniil
SCF Convergence Error for Antiferromagnetic Nd2CuO4Reza0952018/04/06 00:07
by Reza
Using adpack to include core-level Eike F. Schwier21972018/04/05 07:35
by Eike F. Schwier
NPA calculation errorReza12072018/04/04 14:16
by Reza
Patch 3.8.4Reza01032018/04/03 02:32
by Reza
QTAIM in OPENMXReza01002018/04/03 00:35
by Reza
Convergence and time-consuming issues of large-scale calculationsxmzhang21022018/04/02 15:50
by xmzhang
oxygen atom's optimized PAO similar to 6-31++G** of GTO codesReza61542018/04/02 08:37
by T. Ozaki
OPENMX support GPUfurtrue11442018/03/28 12:55
by T. Ozaki
Convergence and time-consuming issues of large-scale calculations xmzhang21502018/03/26 11:37
by xmzhang
The memory size can be reduced by a hybrid parallel methodfurtrue11092018/03/23 21:41
by T. Ozaki
Constrained optimizationHashmi81572018/03/23 11:36
by Hashmi
Should the constrained spin direction and orbital moment direction be same ?Santu Baidya11072018/03/23 01:13
by T. Ozaki
LCAO coefficients and overlaps from HS.scfout file are connected?P21082018/03/21 05:38
by P
exchange coupling constants error ycwu01252018/03/13 16:18
by ycwu
Problem in Geometry OptimizationReza43322018/03/12 21:25
by Reza
error message(NEGF calculation)Yukinori Sakamoto53102018/03/05 13:43
by T. Ozaki
Patch 3.8.4 to OpenMX Ver. 3.8T. Ozaki01662018/03/05 13:33
by T. Ozaki
NEGF calculations.Hashmi51792018/03/05 13:13
by T. Ozaki
undefined reference to Riemann11842018/03/04 21:18
by T. Ozaki

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