Can CP2K be used in finite electronic temperature DFT-MD calculation? if can, how to use?
Samuel Andermatt
samuel.a... at student.ethz.ch
Thu Jun 25 07:29:36 UTC 2015
If you go to very high temperatures you might need large bass_sets.
On Thursday, June 25, 2015 at 3:41:51 AM UTC+2, jia... at gmail.com wrote:
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> may the electronic temperature reach to 10000 K?
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>
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