[Wien] System Error....Couldn't write to/.

Laurence Marks laurence.marks at gmail.com
Fri Jul 14 13:20:31 CEST 2023


I think Peter was clear. Wien2k works.

The term "System Error" is exactly that, some error with your operating
system. Often these are caused by a user error, although it could be
something else.

Try changing the name so it is shorter, and check your disk space. What OS
are you using - Linux, Mac - and is it set to English or some other script?

---
Professor Laurence Marks (Laurie)
Department of Materials Science and Engineering
Northwestern University
www.numis.northwestern.edu
"Research is to see what everybody else has seen, and to think what nobody
else has thought" Albert Szent-Györgyi

On Fri, Jul 14, 2023, 05:59 karina Khan <karinakhan996 at gmail.com> wrote:

> Ok I will keep this thing in my mind for future
> This command works well with different systems like Cs2AgInBr6, BP but not
> with system having molecular formula C24H72N8In2Br14 and C16H20O7
>
> On Thu, 13 Jul, 2023, 8:34 PM Peter Blaha, <peter.blaha at tuwien.ac.at>
> wrote:
>
>> I cannot reproduce this. It works perfectly fine with me.
>>
>> Please try again in another case. Or use the recommended fast mode. This
>> will set automatically good parameters in case.in0/1/2 and klist, and not
>> the "stupid" defaults of the step by step initialization.
>>
>> PS: You cannot send large images to the mailing list. There is a limit of
>> 40 kB per message.
>>
>>
>> Am 13.07.2023 um 11:48 schrieb karina Khan:
>>
>> Dear Wien2k users,
>>                        During initialisation, I stuck up in the step *view
>> case.outpd and cp case.in0_std case.in0, *when I click on the step save
>> and initlapw, I get a *System Error couldn't write to/. * back to last
>> page.
>> However this step is working for the other sample but not for this new
>> sample having 32 atoms.
>> Looking for your suggestions
>> *Thanks & Regards*
>> *Karina Khan*
>>
>>
>> _______________________________________________
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>>
>> --
>> -----------------------------------------------------------------------
>> Peter Blaha,  Inst. f. Materials Chemistry, TU Vienna, A-1060 Vienna
>> Phone: +43-158801165300
>> Email: peter.blaha at tuwien.ac.at
>> WWW:   http://www.imc.tuwien.ac.at      WIEN2k: http://www.wien2k.at
>> -------------------------------------------------------------------------
>>
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