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Viewing changes to Src/pdos3g.F

  • Committer: Rafi Ullah
  • Date: 2017-09-27 12:02:36 UTC
  • mfrom: (611.1.22 trunk)
  • Revision ID: rraffiu@gmail.com-20170927120236-68zal54nt0bu1jxp
Merged with trunk-633

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Src/pdos3g.F
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          do ihist = 1, nhist
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            ener = E1 + (ihist - 1) * delta
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            do iband = 1, nuo*2
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              call LocalToGlobalOrb(iband,Node,Nodes,ibandg)
 
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              call LocalToGlobalOrb((iband+1)/2,Node,Nodes,ibandg)
 
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              ibandg = ibandg * 2 - mod(iband, 2) 
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              diff = (ener - eo(ibandg))**2 / (sigma ** 2)
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              if (diff .gt. 15.0d0) cycle
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              gauss = ( exp(-diff) )