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	Band Structure is not correct Started by ramkrishna	2 Replies 2562 Views	November 20, 2011, 06:53 by ramkrishna
	The error about repeating previous PRL result. Started by postnikov « 1 2 »	21 Replies 11702 Views	November 18, 2011, 10:45 by Anders Blom
	the difference between graphene junction and nanoribbon with two electrodes Started by camelluxin	11 Replies 5811 Views	November 17, 2011, 08:49 by camelluxin
	About "Dropping the DeviceConfiguration with id gID002 onto the plot" Started by Will	2 Replies 2228 Views	November 16, 2011, 17:44 by Will
	About "The element XX is not supported for LCAOCalculator" Started by lrgresearch	1 Replies 1999 Views	November 15, 2011, 21:29 by Anders Blom
	How to export the structures in a xyz form Started by jerry	2 Replies 3514 Views	November 15, 2011, 15:50 by jerry
	Install problem in ATK 11.8.0 Started by jerry	4 Replies 2803 Views	November 15, 2011, 08:37 by jerry
	Surface geometry optimisation Started by aschenk	2 Replies 2256 Views	November 15, 2011, 08:05 by aschenk
	DFT calculations for two probe systems Started by jerry	7 Replies 4548 Views	November 11, 2011, 07:43 by jerry
	How can I interprete the result of Mulliken population analysis? Started by jjhskang	4 Replies 5902 Views	November 10, 2011, 10:17 by Anders Blom
	Convergence problem in 11.8b1 Started by BlackBarrel	6 Replies 3970 Views	November 5, 2011, 14:11 by Anders Blom
	Mulliken population Started by jerry	5 Replies 3567 Views	November 3, 2011, 15:51 by jerry
	band calculation of Fe FCC Started by jerry	1 Replies 1750 Views	October 31, 2011, 11:08 by Anders Blom
	electrochemical potentials of electrodes in two terminal device Started by jerry	2 Replies 2048 Views	October 30, 2011, 02:44 by jerry
	About the current of semiconductor nanotube Started by chp	3 Replies 2488 Views	October 28, 2011, 15:02 by chp
	How to set the spins of the right and left electrode atoms respectively? Started by albatross	7 Replies 4462 Views	October 28, 2011, 12:12 by Anders Blom
	Geometry setup of Metal-tube-metal junctions Started by perfetti	0 Replies 1724 Views	October 28, 2011, 01:24 by perfetti
	tolerance setting Started by jerry	8 Replies 3724 Views	October 26, 2011, 09:25 by jerry
	Why the number of electrons is so large Started by wring	10 Replies 5280 Views	October 25, 2011, 22:30 by Anders Blom
	what is multigrid residual? Started by camelluxin	1 Replies 2894 Views	October 22, 2011, 00:47 by Anders Blom

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