mirror of https://gitlab.com/QEF/q-e.git
12 lines
594 B
Plaintext
12 lines
594 B
Plaintext
This directory contains an example of how to generate a pseudo potential
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with the LDA-1/2 correction. Two AE calculations are done one with the same
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configuration as in the initial pseudopotential and an other one with
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a fraction less of electrons. Usually is 1/2 electron less however in the
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silicon case 1/4 electron less is used (see ref. L. G. Ferreira, M. Marques
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and L. K. Teles, Phys. Rev. B 78 125116 (2008)).
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LDA-1/2 approach has been implemeted by Leonardo Matheus Marion Jorge, from
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the University of Sao Paolo (Brazil).
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The script test.job runs ld1.x (output in results dir.).
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