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WAVECAR in ASCII

Posted: Mon Aug 24, 2009 7:26 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!

WAVECAR in ASCII

Posted: Tue Sep 08, 2009 12:21 pm
by pkroll
go into the code where it is actually written to file. put in some line to produce a formatted output with whatever precision you might want.
CAVEAT: this file can easily become HUGE. The choice of binary had a reason ...

WAVECAR in ASCII

Posted: Mon Oct 12, 2009 10:39 am
by admin
please note that WAVECAR only contains the PW coefficents of the wavefunction. Unless you are absolutely sure that the corresponding basis functions are generated appropriately, the information written on WAVECAR is useless