Structure 1 Double Cell
12/30/10:
Files prepared and density convergence / ETotal calculation put into the queue on 54 nodes with 8 ppn and a walltime of 10 hours.
1/5/11:
Upon seeing that double cell 2, 3, and 4 had failed, I managed to hold this job before it ran such that I can fix the error using interactive runs and then fix the input file and release the job to run fully. For more information, see Structure 3.
1/11/11:
For update, see Structure 3.
1/23/11:
For update, see Structure 3.
2/8/11:
For update, see Structure 3.
page revision: 4, last edited: 09 Feb 2011 05:38