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A significant fat in tf–idf is reached by a significant expression frequency (while in the given document) along with a low document frequency of the expression in The full collection of documents; the weights as a result are likely to filter out typical terms.

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The saved dataset is saved in several file "shards". By default, the dataset output is split to shards inside of a spherical-robin trend but personalized sharding could be specified by way of the shard_func purpose. For example, It can save you the dataset to applying only one shard as follows:

Be aware the quotation you stated only applies to IBRION=0, i.e. a molecular dynamics simulation. For your geometry optimization, the rest from the former paragraph confirms that the CHGCAR should be fine for analyzing a band composition:

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The concept driving tf–idf also applies to entities besides terms. In 1998, the notion of idf was applied to citations.[11] The authors argued that "if a very unheard of citation is shared by two documents, This could be weighted far more highly than the usual citation produced by a large amount of documents". On top of that, tf–idf was placed on "visual phrases" with the purpose of conducting item matching in movies,[twelve] and overall sentences.

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

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Does this imply which the VASP wiki is Mistaken and I haven't got to try and do SCF calculation before calculating DOS or do I realize it wrong?

While in the case of geometry optimization, the CHGCAR isn't the predicted demand density, but is rather the cost density of the last accomplished action.

charge density, effectively the initial guess for that SCF at that posture. This implies you would probably nonetheless have to obtain the self-reliable density for that position.

$begingroup$ This takes place because you established electron_maxstep = 80 in the &ELECTRONS namelits within your scf input file. The default benefit is electron_maxstep = one hundred. This keyword denotes the utmost quantity of iterations in only one scf cycle. You could know more about this here.