the format of WAVECAR in vasp 4.5.* and vasp.4.6.*
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deltz
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the format of WAVECAR in vasp 4.5.* and vasp.4.6.*
Is the file format of WAVECAR in these two vasp series of package the same or not? thanks. because i need WAVECAR to do some further calculations, but my code is based on the vasp.4.5.*.
Last edited by deltz on Mon Sep 08, 2008 1:35 pm, edited 1 time in total.
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admin
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the format of WAVECAR in vasp 4.5.* and vasp.4.6.*
WAVECAR is written without format, as a binary. It only contains the COEFFICIENTS of the PW part of the wavefunctions (without the basis functions) and is not written for any further use but the restart of the next vasp-run (to save the computation time to converge the random wavefunction)
Last edited by admin on Wed Sep 10, 2008 9:35 am, edited 1 time in total.