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List of Threads Topics Author Replies Views Last Modified From Administrator Taisuke Ozaki 0 5437 2005/01/09 05:33 by Taisuke Ozaki How to apply periodic boundary conditions sanjeev 1 3 2019/01/18 01:25 by Naoya Yamaguchi Graphene Band Calculations Lovleen Kaur 4 91 2019/01/07 19:22 by Naoya Yamaguchi NEGF for a thin film Sachin 0 40 2018/12/26 23:49 by Sachin negf optimization math 0 34 2018/12/26 18:25 by math Anomalies in bandstructure of NdAlO3 Aleksey 1 92 2018/12/18 08:46 by Aleksey Controlling SOC strength jhong 6 123 2018/11/27 15:09 by jhong The output file is not updated xuemei 0 52 2018/11/26 10:38 by xuemei The problems of constrained optimization with EF xm 4 112 2018/11/20 23:23 by xm What are the operational problems of the 4 1/2 super thin cutting disc? yang huimin 0 65 2018/11/12 11:53 by yang huimin The problem about NEGF calculation Weiqi Li 4 134 2018/11/08 17:03 by Weiqi Li PAO question Weiqi Li 1 90 2018/11/07 18:22 by Weiqi Li JRCAT 244p and JAIST 2122p J. Chapman 0 103 2018/10/18 19:59 by J. Chapman projected direction in pdos Maedeh 0 92 2018/10/18 02:20 by Maedeh transition probability calculation for metal cluster (rare metal) Manabu Inukai 2 92 2018/10/17 14:48 by Manabu Inukai Electric field perpendicular to 2D materials sabike 1 142 2018/10/13 00:54 by Po-Hao convergence of optimization sabike 2 147 2018/10/11 23:07 by sabike How to calculate charge density and deformation charge density with openmx xm 0 107 2018/10/11 09:17 by xm compilation error: openmx 3.8 Renato 11 198 2018/10/11 02:35 by Renato planar-averaged electrostatic potential Po-Hao 5 149 2018/10/09 12:00 by Naoya Yamaguchi Transport direction in 2D slab NEGF calculation ZHOU Jiaqi 0 129 2018/09/28 14:59 by ZHOU Jiaqi transport direction for thin film Prashant 5 369 2019/01/11 13:45 by adidas originals superstar wikipedia Vacancy study with OpenMx Samuel Dechamps 1 159 2018/09/13 13:00 by Naoya Yamaguchi Patches to apply to build OpenMX with clang Yuri 0 114 2018/09/11 11:19 by Yuri NEGF vs Surface Green's function calculation Eike F. Schwier 0 160 2018/09/06 12:44 by Eike F. Schwier A question on vdW parameter ‘DFTD.IntDirection' ZHOU Jiaqi 1 117 2018/08/30 22:16 by T. Ozaki errors in Indium PAO file? Tomonori Tanaka 2 192 2018/08/15 07:27 by Tomonori Tanaka OpenMX Exchange coupling parameter: J per each orbital J.S.Feng 2 258 2018/08/14 12:02 by Hongkee Yoon NEGF with gate voltage for molecular junctions Dongzhe Li 1 198 2018/08/07 17:33 by T. Ozaki Fermi level dependence on basis set Dechamps Samuel 3 209 2018/08/07 17:18 by T. Ozaki work function with ESM model jiang 5 241 2018/08/03 04:14 by jiang Different total energy: X and Z periodicity tested with 1D carbon-chain Dongzhe Li 2 168 2018/07/20 14:20 by Dongzhe Li ERROR key=MD.Type The number of threads in each node for OpenMP parallelization is 1 hashem.sina 2 164 2018/07/20 11:26 by Mitsuaki Kawamura ERROR: PAOs of lead atoms can overlap only to the next nearest region. M.Sh 2 151 2018/07/20 08:10 by M.Sh input files for periodic system under zero bias Frank 3 222 2018/07/15 12:00 by Frank Unit in the exchange coupling calculation Pui-Wai Ma 1 163 2018/07/11 05:28 by Pui-Wai Ma convergence for ESM calculation with on2+EF jiang 4 221 2018/06/27 06:24 by jiang error in make all sara.shafaei 1 203 2018/06/20 01:26 by Naoya Yamaguchi calculations of Z2 and Chern number Wenliang Liu 1 278 2018/06/16 12:03 by T. Ozaki Geometry optimization of metal slab yields nan forces Dechamps Samuel 9 288 2018/06/12 23:39 by Dechamps Samuel How to solve this problem:APPLICATION TERMINATED WITH THE EXIT STRING: Killed (signal 9) xmzhang 1 522 2018/06/12 10:12 by T. Ozaki Patch 3.8.5 to OpenMX Ver. 3.8 T. Ozaki 0 258 2018/06/12 10:05 by T. Ozaki a bad relaxed structure from the RFC5 geometry optimizaiton Jack 2 185 2018/06/05 09:18 by Jack Work Function of graphene Renato 2 263 2018/05/26 00:02 by Renato How to plot Vhart in a given direction. Carlos 2 196 2018/05/23 03:16 by Carlos Step3 of Transport Calculation is not successful Mobin 5 252 2018/05/22 02:04 by Naoya Yamaguchi Error in installation M.S 2 270 2018/05/21 23:41 by M.S Can it be calculated across a node? That is, cluster testing xuanlv 0 156 2018/05/10 10:17 by xuanlv Running the example of Cr2_CNC.dat program is reporting errors lucky 6 253 2018/05/09 20:46 by lucky phononic spectra Riemann 0 244 2018/05/08 16:29 by Riemann

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