[Wien] Supressing output of fort.12 file

[Daniel Guterding]

Dear Prof. Blaha,

thank you for your help.

Regarding a)
There is no entry for unit 12 in lapw1.def

Regarding b)
I modified the source as suggested and recompiled lapw1. The problem
seems to be solved. The compiler I used is /ifort //13.1.1/.

Best regards,
Daniel Guterding

On 13/05/15 11:18, Peter Blaha wrote:
> Hi,
> No, it has nothing to do with FS, but is used eventually in the NMR
> calculations.
> However, in principle it should be written only if you have a unit 12
> in the lapw1.def file, which should "never" be the case.
>
> When checking this, however, I found that the corresponding logical
> variable "writeham" is never set to .false. and maybe your compiler
> sets this therefore to .true. by default.
>
> a) check you lapw1.def file:  there must not be any line for unit 12
> b) modifiy inilpw.f in SRC_lapw1 and insert a line at the beginning:
> ....
>       dokorig=.false.
>       writeham=.false.        ! <-----   insert this line
>
> Regards
>
> On 05/13/2015 08:00 AM, Daniel Guterding wrote:
>> Dear wien2k users,
>>
>> recently I noticed that wien2k writes out a file called "fort.12" when
>> running lapw1 -band. In the calculations I currently run, this file
>> reaches sizes up to several hundreds of gigabytes and slows down the
>> calculation immensely due to I/O stress.
>>
>> 1) What is the purpose of this file? The user guide says something
>> related to Fermi surface plotting, which I don't need here.
>>
>> 2) How can I supress this file being written out?
>>
>> Best regards,
>> Daniel Guterding
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>

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