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order in which that condition is accessed is undefined. Performance can typically be improved by placing num_parallel_calls to ensure

Observe the quotation you stated only applies to IBRION=0, i.e. a molecular dynamics simulation. For your personal geometry optimization, the remainder with the earlier paragraph confirms that the CHGCAR needs to be fine for figuring out a band composition:

log ⁡ N n t = − log ⁡ n t N displaystyle log frac N n_ t =-log frac n_ t N

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Establish your topical authority with the help on the TF-IDF Software In 2023, serps look for topical relevance in search results, instead of the exact search term match on the early World-wide-web Search engine optimization.

$begingroup$ I desire to calculate scf for bands calculation. In advance of I can progress, I confront an mistake of convergence:

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Spärck Jones's personal rationalization did not suggest Considerably theory, In addition to a connection to Zipf's regulation.[7] Makes an attempt happen to be designed to put idf on the probabilistic footing,[eight] by estimating the probability that a presented document d contains a phrase t as being the relative document frequency,

Warning: Although this is usually a effortless solution it's got minimal portability and scalability. It ought to run in the identical python method that produced the generator, and remains subject matter for the Python GIL.

It's the logarithmically scaled inverse portion with the documents that comprise the term (received by dividing the whole variety of documents by the amount of documents containing the time period, and afterwards using the logarithm of that quotient):

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