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List of Threads Topics Author Replies Views Last Modified Silver bulk modulus B.Martins 0 2578 2010/03/15 03:43 by B.Martins Vibration and Phonons Mauro Sgroi 0 2376 2010/02/24 22:45 by Mauro Sgroi On the calculation of the band offset in OpenMX Okuno 0 2354 2010/02/19 01:12 by Okuno Optimize shahryar zeynali 0 1784 2010/02/05 03:09 by shahryar zeynali Differing results from openmx -runtest for gcc and ifort J. J. Ramsey 4 6867 2010/02/03 15:52 by Kim, Minsung heat conductivity within NEGF? Denis 1 2051 2010/01/29 13:21 by T.Ozaki Compare the chemical potential of two system Dinh Loc Duong 1 4137 2010/01/29 13:18 by T.Ozaki kGrid shahryar zeynali 0 1661 2010/01/17 03:29 by shahryar zeynali input file shahryar zeynali 1 1940 2010/01/11 05:01 by shahryar zeynali Required jafar azamat 2 2091 2010/01/09 03:29 by shahryar zeynali Workstation is hung-up T.Igarashi 1 2293 2009/12/16 20:03 by mabeja Problem compile OPENMX3.5 Dinh Loc Duong 2 2247 2009/12/01 19:10 by Rainer Heintzmann Log Mesh of PAO Liao Chen 1 2306 2009/12/01 13:19 by Masayuki Toyoda Dr R K Pandey 2 2010 2009/11/07 04:13 by shahryar Isotope effect Dinh Loc Duong 2 1770 2009/11/05 17:37 by jafar azamat Required jafar azamat 0 1697 2009/11/01 20:09 by jafar azamat The effective potential Yen-Hsun Su 1 1896 2009/10/29 22:54 by T.Ozaki A compilation problem of OpenMx 3.4.4 in Centos5.3 wangdb 8 7480 2009/09/01 02:38 by Phil unit cell optimization Philip 0 2099 2009/07/21 06:20 by Philip Low memory utility rate kuofeng 0 2236 2009/06/18 18:43 by kuofeng Cube file for each time step Spelnikov Dmitry 0 2158 2009/06/10 19:43 by Spelnikov Dmitry Bug in the function "Band_DFT_MO_NonCol" in every version Jeong 0 2110 2009/06/04 23:01 by Jeong openmx suspected memory leak? Alin M Elena 0 2495 2009/05/20 19:00 by Alin M Elena Parallel runs crash on one cluster but not the other Baruch Feldman 1 2568 2009/05/08 18:52 by Baruch Feldman Definition of chemical potential in OPENMX Loc Duong Dinh 1 2331 2009/04/10 23:29 by Loc Duong Dinh Generation of a Pseudopotential for gold Giovani Faccin 0 2905 2009/03/21 03:11 by Giovani Faccin question about installation----CC&LIB rocdawn 2 1722 2009/03/19 14:31 by rocdawn kutu Xiang He 0 1388 2009/03/16 16:37 by Xiang He openmx(242) malloc: ***vm_allocate(size=8421376) failed (error code=3) YuYe Tong 1 3027 2009/03/04 14:35 by H Jeong nan MulP in Cluster solver Jian Zhou 5 3402 2009/03/03 16:37 by Jian Zhou Bond Order Potential Igarashi 0 2329 2009/02/06 13:58 by Igarashi Segmentation fault with example input file CG15c-Kry.dat Joseph Driscoll 0 2339 2009/01/15 03:33 by Joseph Driscoll A bug with tabulator in the input file Pavel Sorokin 0 2185 2009/01/12 15:30 by Pavel Sorokin Problem in geometry optimization of C nanotube Prachi 1 2764 2009/01/06 11:47 by JH Parq Problems for Optical Conductivity!!! Yen-Hsun Su 0 2418 2008/12/20 16:42 by Yen-Hsun Su problem with cohesive energies Vlad 3 3471 2008/12/11 21:58 by Vasilii Artyukhov identifier "Rcv_FNAN2_GRc" is undefined Daniel Schwen 1 2297 2008/12/03 16:43 by T.Ozaki error in installation openmx3.4 Esthela Contreras 0 1618 2008/12/03 08:47 by Esthela Contreras problem with installation Esthela Contreras 0 1523 2008/12/03 05:19 by Esthela Contreras To calculate dielectric constant Gunn Kim 0 2170 2008/11/27 14:44 by Gunn Kim Problem with openmp/mpi Kevin 1 1812 2008/11/09 01:46 by Kevin Be careful for U values JH Parq 0 2453 2008/11/08 10:17 by JH Parq geometry optimization problem Yuzheng Guo 0 1141 2008/11/04 00:02 by Yuzheng Guo Segmentation fault in executing openmx? xue_bin wu 0 173 2008/11/02 04:03 by xue_bin wu Errors when compiling DosMain V3.4 Yonghong Zhao 7 382 2008/10/25 01:25 by Kyriakos Kachrimanis Bug report : Empty atom failure on OpenMX 3.4 H. Jeong 0 2211 2008/10/22 10:23 by H. Jeong appropriate Band.KPath.UnitCell and Band.Nkpath settings Kyriakos Kachrimanis 0 1720 2008/10/07 02:46 by Kyriakos Kachrimanis Relaxation of large system with defect, using new Eigenvalue-Following(EF) method Heungsik Kim 1 2550 2008/10/01 16:02 by Heungsik Kim Openmx linking problem Mauro Sgroi 1 2571 2008/10/01 01:13 by Mauro Sgroi comile error in openmx3.4 Jaber Jahanbin 3 3160 2008/09/24 14:25 by Heungsik Kim

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