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	Install problem in ATK 11.8.0 Started by jerry	4 Replies 11855 Views	November 15, 2011, 08:37 by jerry
	Surface geometry optimisation Started by aschenk	2 Replies 11054 Views	November 15, 2011, 08:05 by aschenk
	DFT calculations for two probe systems Started by jerry	7 Replies 17213 Views	November 11, 2011, 07:43 by jerry
	How can I interprete the result of Mulliken population analysis? Started by jjhskang	4 Replies 17631 Views	November 10, 2011, 10:17 by Anders Blom
	Convergence problem in 11.8b1 Started by BlackBarrel	6 Replies 16265 Views	November 5, 2011, 14:11 by Anders Blom
	Mulliken population Started by jerry	5 Replies 14353 Views	November 3, 2011, 15:51 by jerry
	band calculation of Fe FCC Started by jerry	1 Replies 10323 Views	October 31, 2011, 11:08 by Anders Blom
	electrochemical potentials of electrodes in two terminal device Started by jerry	2 Replies 13325 Views	October 30, 2011, 02:44 by jerry
	About the current of semiconductor nanotube Started by chp	3 Replies 30250 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 28392 Views	October 28, 2011, 12:12 by Anders Blom
	Geometry setup of Metal-tube-metal junctions Started by perfetti	0 Replies 13631 Views	October 28, 2011, 01:24 by perfetti
	tolerance setting Started by jerry	8 Replies 22183 Views	October 26, 2011, 09:25 by jerry
	Why the number of electrons is so large Started by wring	10 Replies 32621 Views	October 25, 2011, 22:30 by Anders Blom
	what is multigrid residual? Started by camelluxin	1 Replies 17489 Views	October 22, 2011, 00:47 by Anders Blom
	Mulliken population Started by Roc	7 Replies 24080 Views	October 21, 2011, 10:52 by sergio
	scf failed Started by fee	1 Replies 12267 Views	October 20, 2011, 20:13 by Anders Blom
	Is ATK able to reproduce the experimental IV curve for bulk gold? Started by gst	4 Replies 18949 Views	October 20, 2011, 18:42 by Anders Blom
	planar/microscrope charge density/potential Started by caocao	4 Replies 20262 Views	October 16, 2011, 11:26 by Anders Blom
	optical properties of nanoribbon Started by camelluxin	4 Replies 13084 Views	October 13, 2011, 16:35 by camelluxin
	can i use vnl to build a probe like this: Cu(111)/Ta2O5(001)/Cu(111) Started by caocao	3 Replies 13064 Views	October 12, 2011, 10:02 by Anders Blom

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