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List of Threads Topics Author Replies Views Last Modified Is the Orbital Optimization variational with rispect to the Total Energy? Mauro 0 1834 2010/06/02 00:46 by Mauro Band gap of carbon nanotube is dependent of cell size Dinh Loc Duong 0 2410 2010/05/26 10:15 by Dinh Loc Duong How to properly calculate atoms? jlrch 0 1755 2010/05/20 04:21 by jlrch 61 atom Fe wire lead, achieving convergance Gabriel Greene 1 2158 2010/05/13 17:46 by JH Parq Can not get the output file,ie *.out but can get other output files like *.std,*.cif Dimpy 0 1930 2010/05/02 23:42 by Dimpy Interatomic forces at close distances Daniel 1 2043 2010/04/22 05:29 by Daniel A question about nanotube applications Honggyu Kim 0 3828 2010/04/08 20:12 by Honggyu Kim execution of oenmx in parallel environment (using mpirun) result in error failed to save rst file harish 0 2046 2010/04/08 09:39 by harish one problem when running the calculation yang 3 4566 2010/04/07 09:22 by yang TranMain not compiling Gabriel Greene 1 1104 2010/04/04 19:43 by azamat Can anyone tell me how to set the "Atoms.UnitVectors “? yang 0 2129 2010/03/31 17:53 by yang Density of states for a large semiconductor system miher 0 1887 2010/03/30 23:03 by miher Silver bulk modulus B.Martins 0 2608 2010/03/15 03:43 by B.Martins Vibration and Phonons Mauro Sgroi 0 2401 2010/02/24 22:45 by Mauro Sgroi On the calculation of the band offset in OpenMX Okuno 0 2381 2010/02/19 01:12 by Okuno Optimize shahryar zeynali 0 1804 2010/02/05 03:09 by shahryar zeynali Differing results from openmx -runtest for gcc and ifort J. J. Ramsey 4 6894 2010/02/03 15:52 by Kim, Minsung heat conductivity within NEGF? Denis 1 2074 2010/01/29 13:21 by T.Ozaki Compare the chemical potential of two system Dinh Loc Duong 1 4163 2010/01/29 13:18 by T.Ozaki kGrid shahryar zeynali 0 1684 2010/01/17 03:29 by shahryar zeynali input file shahryar zeynali 1 1960 2010/01/11 05:01 by shahryar zeynali Required jafar azamat 2 2113 2010/01/09 03:29 by shahryar zeynali Workstation is hung-up T.Igarashi 1 2317 2009/12/16 20:03 by mabeja Problem compile OPENMX3.5 Dinh Loc Duong 2 2268 2009/12/01 19:10 by Rainer Heintzmann Log Mesh of PAO Liao Chen 1 2329 2009/12/01 13:19 by Masayuki Toyoda Dr R K Pandey 2 2032 2009/11/07 04:13 by shahryar Isotope effect Dinh Loc Duong 2 1789 2009/11/05 17:37 by jafar azamat Required jafar azamat 0 1718 2009/11/01 20:09 by jafar azamat The effective potential Yen-Hsun Su 1 1917 2009/10/29 22:54 by T.Ozaki A compilation problem of OpenMx 3.4.4 in Centos5.3 wangdb 8 7508 2009/09/01 02:38 by Phil unit cell optimization Philip 0 2122 2009/07/21 06:20 by Philip Low memory utility rate kuofeng 0 2257 2009/06/18 18:43 by kuofeng Cube file for each time step Spelnikov Dmitry 0 2179 2009/06/10 19:43 by Spelnikov Dmitry Bug in the function "Band_DFT_MO_NonCol" in every version Jeong 0 2134 2009/06/04 23:01 by Jeong openmx suspected memory leak? Alin M Elena 0 2516 2009/05/20 19:00 by Alin M Elena Parallel runs crash on one cluster but not the other Baruch Feldman 1 2596 2009/05/08 18:52 by Baruch Feldman Definition of chemical potential in OPENMX Loc Duong Dinh 1 2354 2009/04/10 23:29 by Loc Duong Dinh Generation of a Pseudopotential for gold Giovani Faccin 0 2932 2009/03/21 03:11 by Giovani Faccin question about installation----CC&LIB rocdawn 2 1741 2009/03/19 14:31 by rocdawn kutu Xiang He 0 1405 2009/03/16 16:37 by Xiang He openmx(242) malloc: ***vm_allocate(size=8421376) failed (error code=3) YuYe Tong 1 3048 2009/03/04 14:35 by H Jeong nan MulP in Cluster solver Jian Zhou 5 3426 2009/03/03 16:37 by Jian Zhou Bond Order Potential Igarashi 0 2349 2009/02/06 13:58 by Igarashi Segmentation fault with example input file CG15c-Kry.dat Joseph Driscoll 0 2362 2009/01/15 03:33 by Joseph Driscoll A bug with tabulator in the input file Pavel Sorokin 0 2204 2009/01/12 15:30 by Pavel Sorokin Problem in geometry optimization of C nanotube Prachi 1 2788 2009/01/06 11:47 by JH Parq Problems for Optical Conductivity!!! Yen-Hsun Su 0 2445 2008/12/20 16:42 by Yen-Hsun Su problem with cohesive energies Vlad 3 3501 2008/12/11 21:58 by Vasilii Artyukhov identifier "Rcv_FNAN2_GRc" is undefined Daniel Schwen 1 2317 2008/12/03 16:43 by T.Ozaki error in installation openmx3.4 Esthela Contreras 0 1637 2008/12/03 08:47 by Esthela Contreras

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