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- From: lfe11@yahoo.com.tw
- To: forum@abinit.org
- Subject: about the Raman tensor of matel
- Date: Sun, 19 Feb 2006 09:16:15 +0100
Dear all:
I tried to calculate the Raman tensor of siliver bulk.
I got an error inthe log file,showed below
chkinp : ERROR -
The value of occopt is found to be 4
This is not allowed in a non-linear response calculation.
Action : put occopt = 1 in your input file
But siliver bulk is metallic, the value of occopt should be 3~7.
Dose it mean that I can't cacilation the Raman tensor of metal?
Thanks for your help.
Henry Chen
- about the Raman tensor of matel, lfe11, 02/19/2006
- RE: [abinit-forum] about the Raman tensor of matel, sun jason, 02/19/2006
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