after examining the INWAV_FAST subroutine, it appears that the following happens if the number of k-points stored in the WAVECAR file (I'll call this number NW) is different from the number of k-points contained in the KPOINTS file (I'll call this number NK):
* if NK > NW, the first NW of the NK k-points are read from the WAVECAR file. The last k-point in the WAVECAR file is used for the remaining NK-NW k-points
* if NK < NW, the first NK of the NW k-points are read in. the remaining NW-NK k-points in the WAVECAR file are not used
Is my understanding correct? Thanks.
reading WAVECAR when number of k-points has changed
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cpp6f
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reading WAVECAR when number of k-points has changed
Last edited by cpp6f on Thu Jun 29, 2006 3:31 am, edited 1 time in total.
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reading WAVECAR when number of k-points has changed
yes
Last edited by admin on Thu Jun 29, 2006 1:36 pm, edited 1 time in total.