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> _______________________________________________ RG> Pw_forum mailing list 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 ======================================================================= If you make something idiot-proof, the universe creates a better idiot.
