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
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