[Pw_forum] How to make chdens.x?

[Axel Kohlmeyer]

On Sat, 4 Nov 2006, Rahmat Gunawan wrote:

RG> Dear PW_Forum
RG> 
RG> I would like to thanks for your attention to solve my problem.
RG> 
RG> I follow solving problem from Axel and Aaron and I was running my file.pw:
RG> 
RG>     ibrav=4, celldm(1)=a (in atomic units), celldm(3)=c/a, nat=4, ntyp=1
RG> 
RG>     ATOMIC_POSITIONS (alat)
RG>     C    0.0   0.000000000   0.0
RG>     C    0.0   0.577350270   0.0
RG>     C    0.0   0.000000000   c/(2a)
RG>     C    0.5   0.288675135   c/(2a)

please note, this is not a valid input file, but
merely a shortcut notation for a geometry.

please have a look at the material at:
http://www.vlab.msi.umn.edu/events/lecture.shtml
especially from friday (05/26) to sunday (05/28).

RG> but, my PWgui need chdens.x and My PWgui can't run

why don't you just run pw.x directly?

RG> In my Espresso/PP have files: chdens.f90 and chdens.o
RG> so Would You like give me some method to make chdens.x?

the chdens functinonality has been folded into pp.x
about a year ago. there still seems to be some problems
with updating pwgui accordingly. from the cvs changelog

2005-12-28 10:12  giannozz
                                                                                
        * GUI/PWgui/src/: run.itcl, settings.itcl:
 
        References to chdens.x removed - there is still one left in run.itcl
        I am not sure what should be done in that case
 

cheers,
    axel.

RG> 
RG> Oke Thanks very much for PW_Forum
RG> 
RG> Good luch for Your Research...
RG> 
RG> Sincerely Yours
RG> 
RG> 
RG> Rahmat Gunawan
RG> _______________________________________________
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RG> Pw_forum at pwscf.org
RG> http://www.democritos.it/mailman/listinfo/pw_forum
RG> 

-- 
=======================================================================
Axel Kohlmeyer   akohlmey at cmm.chem.upenn.edu   http://www.cmm.upenn.edu
   Center for Molecular Modeling   --   University of Pennsylvania
Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
tel: 1-215-898-1582,  fax: 1-215-573-6233,  office-tel: 1-215-898-5425
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If you make something idiot-proof, the universe creates a better idiot.