Alexander Hampel
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a4020297b1
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fixed a slicing bug for the calculation of the target density in the VASP converter, which selected 1 band less in the correlated window than required.
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2020-03-24 12:50:09 -04:00 |
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Alexander Hampel
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e26444201a
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Updated reference documentation for PLOVASP classes and functions.
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2019-12-04 12:32:00 -05:00 |
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Malte Schüler
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8f184fc963
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tests for plovasp's H(k) and complement. Further work on NiO tutorial
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2019-07-12 16:04:10 +02:00 |
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Malte Schüler
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90b331c5a8
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fixed bug in band selection and output to .pg files. ewindow is not read by vasp_converter anymore.
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2019-07-08 10:27:17 +02:00 |
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Malte Schüler
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2dda711aed
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plovasp: fixed some bugs for multiple ions per shell
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2019-07-02 11:00:21 +02:00 |
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Malte Schüler
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1dd7552529
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plovasp: added documentation and tests
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2019-06-28 14:47:15 +02:00 |
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Malte Schüler
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29cfe8f711
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plovasp: documentation and cleaning
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2019-06-27 16:26:22 +02:00 |
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Malte Schüler
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96a6891f64
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plovasp: first working version of H(k) and complement
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2019-06-27 15:21:07 +02:00 |
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Malte Schüler
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90de1f3ab6
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plovasp: added new input flags. Implemented band selection. Finished implementing corr.
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2019-06-27 09:05:04 +02:00 |
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Oleg E. Peil
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bda2e5e2a3
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Added copyright disclaimers to PLOVasp sources
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2016-02-01 14:06:41 +01:00 |
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Oleg E. Peil
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0d65f38a61
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Moved PLOVasp files to converters/plovasp
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2015-11-27 10:48:15 +01:00 |
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