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	Transmission as function of electrode Fermi level Started by MolFET93	1 Replies 208 Views	March 30, 2023, 21:27 by Anders Blom
	QATK unable to read files Started by AsifShah	3 Replies 210 Views	March 30, 2023, 09:04 by AsifShah
	No mpiexec.hydra file in .../QuantumATK-U-2022.12/libexec Started by whumaple	2 Replies 135 Views	March 29, 2023, 15:05 by Ulrik G. Vej-Hansen
	how to check bond length Started by jestinjohny	1 Replies 128 Views	March 28, 2023, 18:54 by Anders Blom
	Medium basis set for PseudoDojo Pseudopotentials Started by Jahanzaib	2 Replies 169 Views	March 28, 2023, 15:07 by Ulrik G. Vej-Hansen
	MPI batch script error Started by Ambika kumari	6 Replies 386 Views	March 28, 2023, 10:22 by Ambika kumari
	Machine Learning Prerequisites Started by AsifShah	0 Replies 142 Views	March 23, 2023, 09:35 by AsifShah
	Setting max_interaction_range for phonon dispersion Started by krabidix	1 Replies 173 Views	March 22, 2023, 22:37 by Anders Blom
	How to get the spring constant for NEB calculations Started by dua.harkishan@yahoo.com	3 Replies 334 Views	March 22, 2023, 17:18 by Anders Blom
	Reading HDF5 files obtained from another computer/clusters Started by ml1019	4 Replies 315 Views	March 18, 2023, 02:52 by ml1019
	Strange behavior Ubuntu 18 vs Ubuntu 22 Started by ko4	5 Replies 310 Views	March 17, 2023, 20:29 by Anders Blom
	How to compare the qmtp potential with my mtp potential Started by xylx9497	1 Replies 162 Views	March 17, 2023, 20:28 by Anders Blom
	Moment Tensor Potential Attribute Started by krabidix	3 Replies 241 Views	March 14, 2023, 17:22 by krabidix
	Molecular Energy Spectrum Started by Jahanzaib	4 Replies 294 Views	March 14, 2023, 04:08 by Anders Blom
	Off-diagonal absorption tensor element are much stronger than diagonal ones Started by Leonardo	0 Replies 131 Views	March 12, 2023, 20:49 by Leonardo
	Adding Tags for moment tensor potential Started by aknair	1 Replies 248 Views	March 8, 2023, 09:26 by Julian Schneider
	Moment Tensor Potential Training Attributes Started by aknair	4 Replies 280 Views	March 6, 2023, 02:49 by aknair
	Adding molecules not in fragment list Started by KHipps	0 Replies 167 Views	March 3, 2023, 21:14 by KHipps
	PDDOS Started by Jahanzaib	12 Replies 564 Views	March 3, 2023, 15:11 by Jahanzaib
	A issue when Generating A Moment Tensor Potential Started by xylx9497	5 Replies 320 Views	March 1, 2023, 06:17 by xylx9497

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