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Topics Author Replies Views Last Modified
How to visualize charge density using XcrysdensJoao Amaral230412013/03/19 20:21
by Joao Amaral
Energy convergence requirementsAlfonso013072013/03/15 23:52
by Alfonso
Producing desired spin stateTamal Goswami013192013/02/27 17:40
by Tamal Goswami
Convergence issue of CoFe/MgO/CoFe sytem (MTJ)H.Park021712013/02/25 15:45
by H.Park
Basis vectors of Heusler alloy idu218112013/02/06 21:11
by idu
Energy of Fermi, HOMO and LUMOzhe016602013/01/18 23:36
by zhe
Memory problem?pesonkr016802013/01/18 12:24
by pesonkr
optical conductivityPavel Serba319142013/01/12 02:52
by PavelSerba
Zero Point Energy (ZPE) correctionNima017192013/01/11 02:53
by Nima
installationZahra125162013/01/10 20:25
by surender
Numerical error of force and total energy by the Gauss-Legendre quadrature in Total_Energy.cA. M. Ito224052012/12/28 13:41
by A. M. Ito
Installation error on Fedora 17Wang daobin133332012/12/28 07:03
by Surender
pseudopotentials for LanthanideFraser012792012/12/20 13:55
by Fraser
computations of adsorption of NO on TiO2marzi017102012/12/02 19:24
by marzi
Fe/MgO/Fe calculation Kamaram Munira020282012/12/01 00:55
by Kamaram Munira
Problems with convergenceJan Rusz323992012/11/30 22:54
by Jan Rusz
Transport calculation in Fe-MgO-Fe system, LEFT lead cannot be superposed on the original cellKamaram018932012/11/27 02:24
by Kamaram
Node in Be 2s wavefunctionDario Mitnik013422012/11/22 23:48
by Dario Mitnik
problem with 'Automatic Running Test"Surender128052012/11/12 23:21
by 10412009
Input file creation for my moleculeskannan012442012/11/07 05:53
by kannan
Input file for BismuthMehmood013272012/11/06 21:54
by Mehmood
Error: TRAN_Calc_SurfGreen in NEGF calculationjahanbin013082012/11/05 15:52
by jahanbin
Force on the nucleus of an atom under the external electric fieldH216342012/10/29 01:41
by H
Problem with Copper hard pseudopotentialAlfonso218062012/10/20 00:52
by Alfonso
overlap probleme in negf calculationsJahanbin015882012/10/15 04:36
by Jahanbin
Installation problemNourdine 1280992012/09/27 11:31
by Anant
NEGF calculation using restartP014812012/09/25 01:59
by P
Pseudopotential vps fileKwangwoo214972012/09/24 16:47
by Kwangwoo
How to calculate <Sx>, <Sy> and <Sz> with Open-MxJos&#233; Eduardo Padilha154122012/09/23 18:33
by T.Ozaki
erro: NEGF calculation with different right and left lead wang120152012/09/23 17:00
by wang
band structure of YNIDRIS117812012/09/11 07:28
by T.Ozaki
GaAs DOS Dariusz Chrobak422972012/09/10 23:55
by T.Ozaki
Gate voltage reference for NEGF transport calculationsP 218282012/09/10 21:29
by P
same PAOsJulio Aguiar416542012/09/03 23:59
by Julio Aguiar
Silicon cd force calculationsDariusz Chrobak225852012/08/29 18:34
by Dariusz Chrobak
installation with openmpisanjeev114412012/08/28 17:44
by T. Ozaki
Unit using in exchange coupling parameter Pui-Wai Ma15382012/08/28 17:42
by T. Ozaki
scf.KgridVikas Sharma124002012/08/28 16:20
by T.Ozaki
Some question about small cluster calculationssanjeev118432012/08/28 16:16
by T.Ozaki
Ca lattice constantSang226582012/07/29 06:22
by Sang
Large Dipole MomentSomesh Bhattacharya218712012/07/25 13:55
by Somesh Bhattacharya
Post complilation problemMosahhar218972012/07/25 05:51
by Mosahhar
Calculation timeDmitry117532012/07/25 00:51
by T.Ozaki
The exact meaning of the natn arrayKonstantin Khromov114172012/07/21 09:40
by T.Ozaki
NEGFLida116362012/07/21 09:31
by T.Ozaki
Log. derivs fail to converge in ADPACKGrigory Shamov115462012/07/21 09:29
by T.Ozaki
Tips on Compilation of OpenMX in POWER7 machinesT.Ohwaki018892012/07/05 11:58
by T.Ohwaki
Murnaghan equation fit code questionRyan125022012/07/03 13:29
by Anita
openmx testrun resultsmarius530232012/07/02 15:37
by Somesh Bhattacharya
What states of the d-orbitals correspond to the numbers (d1〜5) in output files?Yasutaka Nishida227482012/06/06 13:07
by Yasutaka Nishida

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