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Extracting wave functions

Posted: Tue Aug 25, 2009 3:42 pm
by nvmedhekar
Hello Vasp admins and users,
I wanted to know if there is a way to write WAVECAR file in ASCII text format, or to convert the binary WAVECAR file into ASCII text format. I am doing this because I want to access individual wavefunctions.
Thanks!

Extracting wave functions

Posted: Mon Oct 12, 2009 2:43 pm
by admin
WAVECAR contains the coefficients of the PW-part of the wavefunctions of the cell, writing them in an ASCII file will not be very
helpful, because you need exactly the same basis functions generated again for the coefficients to make any sense.

Extracting wave functions

Posted: Wed Oct 21, 2009 12:06 pm
by rudra-b
just to add a comment, WAVECAR is ascii(or any formatted form, for say) will be very large to use.

Extracting wave functions

Posted: Fri Oct 30, 2009 6:59 pm
by Modey3
Is there any program that can write the eigenvectors given the input from the WAVECAR?

modey3