Hey Yukihiro,
Can you please send your input I can write one for you.
Thanks,
?ric.
On 09/02/2014 10:10 AM, ???? wrote:
> Dear PWSCF users.
>
> Are there any script which pwscf input or output file into the
>
> cif (or pdb ) format file ?
>
> (There is cif2qe script that convert cif file into pwscf input. but
>
> I cannot find the reverse convert script.)
>
> Sincerely,
>
> Yukihiro Okuno
>
>
>
>
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--
?ric Germaneau (???), Specialist
Center for High Performance Computing
Shanghai Jiao Tong University
Room 205 Network Center, 800 Dongchuan Road, Shanghai 200240 China
M:germaneau at sjtu.edu.cn P:+86-136-4161-6480 W:http://hpc.sjtu.edu.cn
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