[Pw_forum] a small problem

贺伟 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
>
>-- 
>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 ***
>
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Sincerely
Wei He



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