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

List of Threads

Topics Author Replies Views Last Modified
ERROR: PAOs of lead atoms can overlap only to the next nearest region.M.Sh24972018/07/20 08:10
by M.Sh
input files for periodic system under zero biasFrank34942018/07/15 12:00
by Frank
Unit in the exchange coupling calculationPui-Wai Ma14022018/07/11 05:28
by Pui-Wai Ma
convergence for ESM calculation with on2+EFjiang45392018/06/27 06:24
by jiang
error in make allsara.shafaei15432018/06/20 01:26
by Naoya Yamaguchi
calculations of Z2 and Chern numberWenliang Liu15452018/06/16 12:03
by T. Ozaki
Geometry optimization of metal slab yields nan forcesDechamps Samuel96552018/06/12 23:39
by Dechamps Samuel
How to solve this problem:APPLICATION TERMINATED WITH THE EXIT STRING: Killed (signal 9)xmzhang122662018/06/12 10:12
by T. Ozaki
Patch 3.8.5 to OpenMX Ver. 3.8T. Ozaki04872018/06/12 10:05
by T. Ozaki
a bad relaxed structure from the RFC5 geometry optimizaitonJack24372018/06/05 09:18
by Jack
Work Function of grapheneRenato24812018/05/26 00:02
by Renato
How to plot Vhart in a given direction.Carlos24752018/05/23 03:16
by Carlos
Step3 of Transport Calculation is not successfulMobin55832018/05/22 02:04
by Naoya Yamaguchi
Can it be calculated across a node? That is, cluster testing xuanlv03322018/05/10 10:17
by xuanlv
Running the example of Cr2_CNC.dat program is reporting errorslucky66392018/05/09 20:46
by lucky
phononic spectraRiemann04342018/05/08 16:29
by Riemann
How to determine the Euler angle in Atoms.SpeciesAndCoordinateslucky76152018/05/05 18:02
by lucky
Absolute eigenvalue's index in conjunction with Absolute eigenvalue and Chemical PotentialRiemann13912018/05/02 00:59
by Naoya Yamaguchi
add_gcube.cRiemann54272018/05/01 16:48
by Riemann
num.LUMORiemann64252018/05/01 16:43
by Riemann
TranMain and cluster calculationslz05122018/04/27 14:11
by lz
Hardware configuration requirements for the serverxuanlv 03432018/04/27 11:24
by xuanlv
scf convergence problem in GaFeO3reza04092018/04/23 01:33
by reza
Convergence problem in magnetic slab calculationEike F. Schwier511972018/04/22 22:34
by reza
Spin-orbit interaction and electron structure in NCDFTDaniil109012018/04/19 04:02
by Daniil
SCF Convergence Error for Antiferromagnetic Nd2CuO4Reza04752018/04/06 00:07
by Reza
Using adpack to include core-level Eike F. Schwier25692018/04/05 07:35
by Eike F. Schwier
NPA calculation errorReza15882018/04/04 14:16
by Reza
Patch 3.8.4Reza03852018/04/03 02:32
by Reza
QTAIM in OPENMXReza04582018/04/03 00:35
by Reza
Convergence and time-consuming issues of large-scale calculationsxmzhang24222018/04/02 15:50
by xmzhang
oxygen atom's optimized PAO similar to 6-31++G** of GTO codesReza65022018/04/02 08:37
by T. Ozaki
OPENMX support GPUfurtrue16762018/03/28 12:55
by T. Ozaki
Convergence and time-consuming issues of large-scale calculations xmzhang25062018/03/26 11:37
by xmzhang
The memory size can be reduced by a hybrid parallel methodfurtrue14582018/03/23 21:41
by T. Ozaki
Constrained optimizationHashmi85882018/03/23 11:36
by Hashmi
Should the constrained spin direction and orbital moment direction be same ?Santu Baidya13912018/03/23 01:13
by T. Ozaki
LCAO coefficients and overlaps from HS.scfout file are connected?P24202018/03/21 05:38
by P
exchange coupling constants error ycwu04602018/03/13 16:18
by ycwu
Problem in Geometry OptimizationReza48822018/03/12 21:25
by Reza
error message(NEGF calculation)Yukinori Sakamoto57702018/03/05 13:43
by T. Ozaki
Patch 3.8.4 to OpenMX Ver. 3.8T. Ozaki04652018/03/05 13:33
by T. Ozaki
NEGF calculations.Hashmi56172018/03/05 13:13
by T. Ozaki
undefined reference to Riemann15092018/03/04 21:18
by T. Ozaki
tunneling transport processBoshra14702018/03/04 21:11
by T. Ozaki
Is exchange parameter calculated from band energy Uele ?Min Yi16832018/03/04 08:13
by T. Ozaki
Where does the discontinuity of the applied electric sawtooth potential occur in the super cell?Xiangyang Peng47362018/03/02 15:10
by T. Ozaki
problem while cmpiling openmx3.8 with intel 2015 fang liwen14272018/03/02 15:06
by T. Ozaki
a limit to the number of atomsfxj13812018/03/02 14:55
by T. Ozaki
The total size of the input file xuanlv14102018/03/02 14:53
by T. Ozaki

Page: [1] [2] [3] [4] [5] [6] [7] [8] [9] [10] [11] [12] [13] [14] [15] [16] [17] [18] [19] [20] [21] [22]


Open Thread    Locked Thread    Alarm(More than 180 replies)   Message from Administrator


- Web Patio -