[RMCProfile-users] Help with data2config

[Mudasir Ahmad Yatoo]

Dear Martin and Yuanpeng,

Thank you.

I have tried 4 x 4 x 4 and 10 x 10 10 already. It isn't working! In fact
what the manual says is that once data2config is run, the program should
write '1' and end but when I am running it for even the tutorial example of
SF6, it isn't writing '1' but it does produce the required files. However,
when I do the same with my material, CeNbO4.25, neither is program writing
'1'  nor is it producing all files. It however produces .inst and .rmc6f
files. I even tried to download the program anew, but it isn't behaving
properly.


Regards,
Mudasir

On 12 March 2017 at 15:22, Yuanpeng Zhang <zyroc1990 at gmail.com> wrote:

> When asked for the supercell multipliers, could you just input something
> like '8 8 8' (which means you want a 8x8x8 supercell as the simulation box)?
>
> Cheers,
> yuanpeng
>
>
> Dr. Yuanpeng Zhang
> Postdoc In Advanced Diffraction Group
>
> Spallation Neutron Source
> Oak Ridge National Laboratory
> Oak Ridge, TN 37830
>
> Tel: +1 865-335-4818
>
> zyroc1990 at gmail.com
> http://dcvps.aipeng1990.com
> http://dcvps.aipeng1990.com/home
>
> On 09/03/17 11:55, Mudasir Ahmad Yatoo wrote:
>
>> Hi all,
>>
>> I am playing around RMC but am unable to produce the starting files from
>> GSAS data using data2config. The program is either not running or asking
>> me
>> to input the supercell multipliers, which I'm not able to comprehend
>> fully.
>> Could someone please help me out?
>>
>> Thank you.
>>
>>
>> Regards,
>> Mudas
>> ir
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