[Pw_forum] 2 question about parallel computing and Imaginary part of dielectric

mohsen modaresi modaresi.mohsen at gmail.com
Thu May 13 18:40:05 CEST 2010


Dear users,
1) I want to calculate imaginary part of dielectric function which can be
done with WIEN2k (for Ex. "Practical aspects of running the WIEN2k code for
electron spectroscopy,
*Micron*<http://www.sciencedirect.com/science/journal/09684328>Volume
38, Issue 1<http://www.sciencedirect.com/science?_ob=PublicationURL&_tockey=%23TOC%235119%232007%23999619998%23635556%23FLA%23&_cdi=5119&_pubType=J&view=c&_auth=y&_acct=C000055464&_version=1&_urlVersion=0&_userid=1937058&md5=fd4a3b42c1447dc146aeb492bf78ba5f>,
January 2007, Pages 12-28"), Can Q.E do this kind of calculation?
2) For parallel computing the input file must be modified? (in other word if
we run a program with 1CPU and then we want to run it with N CPUs, we must
modify the input file)
Mohsen Modaresi
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