[CP2K:7886] Re: CP2K binaries for 32bit Windows

Ole Schütt o... at schuett.name
Fri Jul 8 21:14:34 UTC 2016


Hi Aoyama,

> On this occasion, May I ask to add optional functionality to print
> cube files for semi-empirical and DFTB calculation? 

Hmm, seems like nobody is jumping at this...
Perhaps you want to give it a try yourself?
Otherwise, you could open a ticket to keep track of the idea: 
https://sourceforge.net/p/cp2k/bugs/ .

Cheers,
Ole

On 2016-07-04 12:09, brhr wrote:
>> Hi Ole
> 
> Thank you for adding a link CP2K download page to my GitHub page.
> 
> It is too hard to perform DFT or other ab initio calculation for most
> of Windows PCs.
> I hope the Windows binaries could be a primer to entry into CP2K
> calculation.
> 
> On this occasion, May I ask to add optional functionality to print
> cube files for semi-empirical and DFTB calculation? 
> 
> I'll look into subscribing the developers list with a open mind.
> 
> Aoyama Iwao (brhr)
> 
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