[Pw_forum] a small problem
weihe at mail.ustc.edu.cn
Sat Dec 27 15:25:15 CET 2003
Dear Prof.Paolo Giannozzi:
Thank you very much!
======= 2003-12-27 21:58:23 您在来信中写道：=======
>On Saturday 27 December 2003 07:51, 贺伟 wrote:
>> When I run pw.x to make a relax calculation, in the fourth step
>> of geometry relaxation, there is an error message [...]
>> from linmin : [...] unexpected error
>> Would somebody tell me the possible reason for this error?
>it is explained in the"Troubleshooting" section of the manual.
>Currently there is some ongoing work aimed at producing a
>more robust geometry optimizer.
>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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