[Pw_forum] problem of calculation of phonon

[Zhenyu Li]

Dear Paolo

	I am afraid that the developing version from CVS server is
too unstable. In fact, the version I got this morning is failed
to be compiled. By fixing some type errors in a source file and 
PH/Makefile, I compiled the pw.x and ph.x successfully. But the
ph.x report the following error in q point 0.0000000,0.0000000,-.1313474 

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     from phq_readin : error #         1
      Wrong iswitch
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     stopping ...

Zhenyu


	

======= 2004-01-13 05:34:11 =======

>On Sunday 11 January 2004 04:05, Zhenyu Li wrote:
>
>> 	Thank you very much for providing a solution. But it does
>> not work well in parallel version, which end with the following
>> debug information:
>> ---------------------------------------------------------------
>> #23 0x12019ff08 in reduce() "reduce.f90":76
>> #24 0x12005fbc0 in drhodvnl() "drhodvnl.f90":142
>> #25 0x12005cba4 in drhodv() "drhodv.f90":100
>> #26 0x12009bc80 in phqscf() "phqscf.f90":78
>> #27 0x1200971a0 in phonon() "phonon.f90":78
>> -----------------------------------------------------------------
>
>I don't have that error (with the parallel version). May you try
>the latest (cvs) version?
>
>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
>
>
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>

= = = = = = = = = = = = = = = = = = = =
			

　　　　　　　　致
礼！
 
				 
　　　　　　　　Zhenyu Li
　　　　　　　　zyli at sina.com
　　　　　　　　　　2004-01-13

=================================================
   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/
===================================================