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List of Threads Topics Author Replies Views Last Modified nan error in optimization of Fe doped Arm chair graphene nano ribbon Lovleen Kaur 1 1215 2019/09/19 11:02 by Jhon W. Gonzalez Nose-Hoover heat bath mass Pavel Ondracka 1 1704 2019/09/16 12:49 by Naoya Yamaguchi Compiling Jx executable in ubuntu Altan 4 1471 2019/09/09 17:17 by Altan orbital contributions of exchange coupling parameters Bin Shao 2 1486 2019/09/04 11:28 by Hongkee Yoon Solvent model Lovleen Kaur 0 1106 2019/09/02 18:22 by Lovleen Kaur Understanding exchange coupling parameter calculation Jhon W. Gonzalez 0 1280 2019/08/30 07:26 by Jhon W. Gonzalez optimization lattice constants of charged single layer 2d metallic materials Bin Shao 0 1198 2019/08/27 14:03 by Bin Shao Vdw-d3(bj) for 'band' calculation Nikolai 3 1367 2019/08/25 05:51 by Jhon W. Gonzalez Mismatch DOS with conductance profile Devanand 2 1102 2019/08/23 15:50 by Naoya Yamaguchi How can we get the I-V curves with openmx Ryoehi Nishioka 2 1392 2019/08/22 16:17 by Ryoehi Nishioka How to normalize charge density calculated from HOMO-LUMO Eike F. Schwier 7 1996 2019/08/21 20:07 by Eike F. Schwier Very high noise and stoping calculation Douglas 0 1030 2019/08/16 21:51 by Douglas convergence problem (the last thread can not display correctly) Bin Shao 3 1399 2019/08/07 14:22 by Naoya Yamaguchi convergence problem Bin Shao 0 1125 2019/07/25 17:09 by Bin Shao inconsistent magnetic solutions of bcc Fe Bin Shao 2 1194 2019/07/24 17:51 by Bin Shao NEB Optimization Reza 1 1110 2019/07/23 17:31 by Naoya Yamaguchi Questions about the magnetic moment in NEGF calculations H Y ZHOU 0 1164 2019/07/17 21:46 by H Y ZHOU Negative charge on Al in Al-doped AGNR Lovleen Kaur 1 1312 2019/07/14 02:31 by Yung-Ting Lee NEB Question Reza 0 1149 2019/07/05 00:31 by Reza charge density Alisa 2 1647 2019/07/03 16:58 by Yung-Ting The problem difference charge density Alisa 6 2138 2019/06/28 10:40 by Alisa Elastic Constant of Cu - 6.0Hs3p3d3 C. Pashartis 2 1406 2019/06/21 20:14 by C. Pashartis NEB output file Reza 0 1047 2019/06/21 15:49 by Reza Error in installation M.S 3 3196 2019/06/15 06:44 by deniz Hamiltonian matrix file Maedeh 5 2232 2019/06/08 05:12 by Maedeh Questions about functionals Aleksey 0 1392 2019/06/06 20:57 by Aleksey Some Suggestions about new version Reza 1 1451 2019/05/30 05:57 by Po-Hao Chang Installation of OpenMX in IUAC cluster server Vicky 14 1752 2019/05/30 02:54 by Naoya Yamaguchi Cell optimization with Krylov subspace method Pavel Ondračka 0 1162 2019/05/28 20:18 by Pavel Ondračka GGA+U reza 0 1246 2019/05/23 18:45 by reza convergence for ESM calculation with on4 in HfO2 Z Jiang 0 1257 2019/05/18 06:40 by Z Jiang Zeeman term in the OpenMx is not working! Santu Baidya 3 1297 2019/05/15 11:23 by Santu Baidya Memory Consumption Reza 3 1161 2019/05/03 02:42 by Reza SCFOUT Error - Hamiltonian incorrectly saved for MD.Type Opt J. Chapman 11 1718 2019/04/04 01:29 by J. Chapman The problem of RF constrained optimization with patch 3.8.4 and 3.8.5 Alisa 4 1416 2019/03/27 00:40 by Naoya Yamaguchi installation error Haider Abbas 5 1610 2019/03/15 05:12 by Naoya Yamaguchi Error occurs when NEB calculation runs with DFT-D3 Kunihiro Yananose 2 1437 2019/03/05 13:57 by Kunihiro Yananose Graphene Band Calculations Lovleen Kaur 5 2806 2019/02/09 03:21 by Naoya Yamaguchi How to apply periodic boundary conditions sanjeev 4 1988 2019/02/08 23:03 by Kylin JRCAT 244p and JAIST 2122p J. Chapman 1 1333 2019/01/29 19:15 by Naoya Yamaguchi NEGF for a thin film Sachin 0 1284 2018/12/26 23:49 by Sachin negf optimization math 0 1137 2018/12/26 18:25 by math Anomalies in bandstructure of NdAlO3 Aleksey 1 1349 2018/12/18 08:46 by Aleksey Controlling SOC strength jhong 6 2424 2018/11/27 15:09 by jhong The output file is not updated xuemei 0 1152 2018/11/26 10:38 by xuemei The problems of constrained optimization with EF xm 4 1510 2018/11/20 23:23 by xm The problem about NEGF calculation Weiqi Li 4 1519 2018/11/08 17:03 by Weiqi Li PAO question Weiqi Li 1 1321 2018/11/07 18:22 by Weiqi Li projected direction in pdos Maedeh 0 1197 2018/10/18 02:20 by Maedeh transition probability calculation for metal cluster (rare metal) Manabu Inukai 2 1392 2018/10/17 14:48 by Manabu Inukai

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