[Wien] Print plane wave coefficients flom LAPW1 with -p option

Elias Assmann elias.assmann at gmail.com
Thu Jan 9 10:45:02 CET 2014


On 01/08/2014 06:49 PM, Oleg Rubel wrote:
> I tried to compile the FORTRAN code you attached. It has the include statement
>
>    use util,      only: line_count
>    use structmod, only: struct, struct_read
>    use const,     only: BUFSZ
>
> I was able to find 'util.f' in the w2w package, but not 'structmod'
> and 'const'. Would you please send me those too.

Sorry, I forgot about that.  I attach ‘util.F’ (which contains all those 
modules) and a header file it needs.  The ‘util.f’ from the current 
wien2wannier distribution will not work with this ‘vec2ascii.f90’.

When compiling remember that for the ‘.F’ file you have tell that 
compiler that it is free-form, so

$ ifort -warn all -free util.F vec2ascii.f90 -o vec2ascii

or

$ gfortran -ffree-form -Wall util.F vec2ascii.f90 -o vec2ascii

(of course you need to use the same as for lapw1 …)


	Elias

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