[Pw_forum] problem of calculation of phonon
Zhenyu Li
zyli at sina.com
Wed Dec 17 14:00:34 CET 2003
Dear Paolo
My input file is attached with this mail.
I always get error in the following q points:
0.0000000,0.0000000,-.1313474
0.1250000,0.3608439,0.0000000
0.1250000,0.3608439,-.1313474
Sincerely
Zhenyu
======= 2003-12-17 17:00:59 您在来信中写道:=======
>On Wed, 17 Dec 2003, Zhenyu Li wrote:
>
>> >- is there enough disk space?
>> yes
>> >- is the error reproducible?
>> yes
>> >- does it happen on different hardware/compilers?
>> yes, both pc_ifc and compaq alpha
>> >- does it happen in serial or parallel execution, or both?
>> both
>
>could you please post your data (the jobs running pw.x and ph.x)?
>
>Paolo
>
>--
>
>Paolo Giannozzi e-mail: giannozz at nest.sns.it
>Scuola Normale Superiore Phone: +39/050-509876, Fax:-563513
>Piazza dei Cavalieri 7 I-56126 Pisa, Italy
>*** please note my new phone and fax numbers ***
>
>_______________________________________________
>Pw_forum mailing list
>Pw_forum at pwscf.org
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>
>
= = = = = = = = = = = = = = = = = = = =
致
礼!
Zhenyu Li
zyli at sina.com
2003-12-17
=================================================
Zhenyu LI
Ph.D. Candidate
Open Laboratory of Bond Selective Chemistry,
University of Science and Technology of China,
Hefei, Anhui, 230026,
People's Republic of China
Tel.: 86-551-3606428
Fax.: 86-551-3602969
http://www.bsc.ustc.edu.cn/~zyli/whoami/
===================================================
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