[Pw_forum] Pw_forum Digest, Vol 59, Issue 19

Magdalena Birowska magda.birowska at gmail.com
Thu May 10 14:03:09 CEST 2012


2012/5/10 <pw_forum-request at pwscf.org>

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> Today's Topics:
>
>   1. GaAs surface with fractional charges H Zval=1.25, very large
>      estimated scf accuracy (Magdalena Birowska)
>   2. Shift in K points (manoj narayanan)
>   3. Re: GaAs surface with fractional charges H Zval=1.25,     very
>      large estimated scf accuracy (Giuseppe Mattioli)
>
>
> ----------------------------------------------------------------------
>
> Message: 1
> Date: Thu, 10 May 2012 12:57:06 +0200
> From: Magdalena Birowska <magda.birowska at gmail.com>
> Subject: [Pw_forum] GaAs surface with fractional charges H Zval=1.25,
>        very large estimated scf accuracy
> To: pw_forum at pwscf.org
> Message-ID:
>        <CA+H_66GKg7kWhg95McrDYX0OLBF8pRE0xKPOzkEBhsLxGUKoRQ at mail.gmail.com
> >
> Content-Type: text/plain; charset="iso-8859-1"
>
> Dear All,
>
> I am trying to relax a surface slab of GaAs which has 72 atoms.
> I found strange behaviour of first cycle of scf convergence.
> The estimated scf convergence is huge. I terminated Ga surface using
> fractional charges
> H=1.25, which I downloaded from the quantum espresso official website.
> When I use H=1, I don't see such a behaviour.
> Can anyone kindly suggest the possible source of error on my part.
>
> First cycle of SCF convergence:
>      estimated scf accuracy    <    3906.28215610 Ry
>     estimated scf accuracy    <   39347.40892210 Ry
>     estimated scf accuracy    <   18170.90673442 Ry
>     estimated scf accuracy    <   15951.19730682 Ry
>     estimated scf accuracy    <   15662.52132268 Ry
>     estimated scf accuracy    <   12286.77018220 Ry
>     estimated scf accuracy    <   12233.77236956 Ry
>     estimated scf accuracy    <   11694.83354422 Ry
>     estimated scf accuracy    <   15271.15048386 Ry
>     estimated scf accuracy    <   15566.68838647 Ry
>     estimated scf accuracy    <   47265.52643459 Ry
>     estimated scf accuracy    <   22511.42062539 Ry
>     estimated scf accuracy    <   24008.31787289 Ry
>     estimated scf accuracy    <   12935.76752149 Ry
>     estimated scf accuracy    <   16811.33660587 Ry
>     estimated scf accuracy    <   10992.92010369 Ry
>     estimated scf accuracy    <    4144.02105761 Ry
>     estimated scf accuracy    <   30138.05735660 Ry
>     estimated scf accuracy    <   10240.01360270 Ry
>     estimated scf accuracy    <   16789.80502995 Ry
>     estimated scf accuracy    <    6254.96875173 Ry
>     estimated scf accuracy    <    5678.83239125 Ry
>     estimated scf accuracy    <    5653.94732457 Ry
>     estimated scf accuracy    <    4634.85427954 Ry
>     estimated scf accuracy    <    4748.33851037 Ry
>     estimated scf accuracy    <    4570.74005737 Ry
>     estimated scf accuracy    <    2807.69984889 Ry
>     estimated scf accuracy    <    5304.65877872 Ry
>     estimated scf accuracy    <    2066.38501462 Ry
>     estimated scf accuracy    <   17495.61285271 Ry
>     estimated scf accuracy    <   18676.38196709 Ry
>     estimated scf accuracy    <   10884.14492461 Ry
>     estimated scf accuracy    <   17200.92388789 Ry
>     estimated scf accuracy    <    1160.48758157 Ry
>     estimated scf accuracy    <    1080.24247591 Ry
>     estimated scf accuracy    <     399.14797137 Ry
>     estimated scf accuracy    <     122.19296219 Ry
>     estimated scf accuracy    <      99.50315590 Ry
>     estimated scf accuracy    <      55.04456371 Ry
>     estimated scf accuracy    <       9.17378773 Ry
>     estimated scf accuracy    <       1.52941820 Ry
>     estimated scf accuracy    <       4.24567233 Ry
>     estimated scf accuracy    <      31.40572065 Ry
>     estimated scf accuracy    <       0.15173499 Ry
>     estimated scf accuracy    <       0.25128323 Ry
>     estimated scf accuracy    <       0.08254494 Ry
>     estimated scf accuracy    <       0.04825066 Ry
>     estimated scf accuracy    <       0.02330525 Ry
>     estimated scf accuracy    <       0.01482943 Ry
>     estimated scf accuracy    <       0.00395579 Ry
>     estimated scf accuracy    <       0.00021627 Ry
>     estimated scf accuracy    <       0.00002718 Ry
>     estimated scf accuracy    <       0.00001596 Ry
>     estimated scf accuracy    <       0.00000423 Ry
>     estimated scf accuracy    <       0.00000096 Ry
>     estimated scf accuracy    <       0.00000049 Ry
>     estimated scf accuracy    <       0.00000040 Ry
>     estimated scf accuracy    <       0.00000004 Ry
>     estimated scf accuracy    <          8.2E-09 Ry
>
> My input file:
>
>  &CONTROL
>   calculation =   "relax"   ,
>   restart_mode = 'from_scratch' ,
>   outdir='/tmp/GaAs/' ,
>   pseudo_dir = './' ,
>   prefix='GaAs'
>   disk_io = 'default' ,
>  ! verbosity = 'default' ,
>   tstress = .true. ,
>   tprnfor = .true. ,
>   nstep =  200  ,
>               etot_conv_thr = 1.0E-5  ,
>               forc_conv_thr = 1.0D-6 ,
>                    !  iprint = 3 ,
>                 max_seconds = 6000000 ,
>                          dt = 1000000 ,
>  /
>  &SYSTEM
>   ibrav = 0 ,
>   celldm(1) =7.383383939,
>   ! B = 3.70971016 ,
>   ! C = 3.70971016 ,
>   ! cosAB = 0.49517470 ,
>   ! cosAC = 0.49517470 ,
>   !  cosBC = 0.49517470 ,
>                         nat  =  72 ,
>                        ntyp  =  3 ,
>                       ecutwfc  =  40.0 ,
>                       !ecutrho  =  320.0 ,
>                       occupations  =  'smearing' ,
>                      smearing  =  'fd' ,
>                      degauss  =  0.005 ,
>                      !nspin  =  2 ,
>                      lda_plus_u  =  .false. ,
>
>  !celldm(1)   = 3.907118519,
>  !celldm(3)   = 10.D0,
>
>  /
>  &ELECTRONS
>            electron_maxstep  =  700  ,
>                    conv_thr  =  1.0d-8  ,
>             diagonalization   =   'cg'   ,
>  /
>  &IONS
>  bfgs_ndim =3,
>  pot_extrapolation='atomic',
>  /
>  &CELL
>   cell_dynamics = 'damp-w' ,
>   press = 0.00 ,
>  ! wmass =  0.00700000  ,
>    cell_dofree = 'xyz' ,
>  /
> CELL_PARAMETERS cubic
>  2.00000   0.000000  0.000000
>  0.00000   2.000000  0.000000
>  0.00000   0.000000  10.00000
> ATOMIC_SPECIES
>  Ga  69.723    Ga.rrkj3.UPF
>  As  74.922    As.rrkj3.UPF
>  H 1.00794 H-1.25.UPF
> ATOMIC_POSITIONS {alat}
> Ga    0.00000050    -0.00000025    0.00682815
> Ga    0.49999874    0.49924596    0.70857798
> As    0.50000024    0.00000000    0.35277077
> As    -0.00000050    0.49920484    1.06302457
> Ga    -0.00000075    1.00000049    0.00921110
> Ga    0.50000024    1.50075426    0.70857948
> As    0.49999949    1.00000074    0.35474173
> As    -0.00000050    1.50079488    1.06302507
> Ga    0.00000000    0.00000050    1.42032605
> Ga    0.49999974    0.50287293    2.12975309
> As    0.49999999    0.00000025    1.77702420
> As    0.00000000    0.50483913    2.48497829
> Ga    -0.00000025    0.99999948    1.41672691
> Ga    0.49999949    1.49712679    2.12975209
> As    0.49999974    0.99999923    1.77125600
> As    0.00000000    1.49516135    2.48497904
> Ga    0.00000025    -0.00000176    2.83068972
> Ga    0.49999774    0.48620728    3.55158193
> As    0.49999999    -0.00000125    3.18153191
> As    -0.00000075    0.47707341    3.90604332
> Ga    -0.00000050    0.99999798    2.85092365
> Ga    0.49999849    1.51379294    3.55158244
> As    0.50000100    0.99999923    3.21014318
> As    0.00000000    1.52292731    3.90604307
> Ga    0.00000000    0.00000025    4.30422216
> Ga    0.49999974    0.55140319    4.97156294
> As    0.49999974    0.00000075    4.67996164
> As    0.00000000    0.69861686    5.30991586
> Ga    0.00000000    0.99999948    4.21931590
> Ga    0.49999949    1.44859754    4.97156219
> As    0.50000024    1.00000024    4.55459604
> As    0.00000000    1.30138387    5.30991436
> H    0.00000025    0.29006390    -0.24872539
> H    0.00000000    -0.29006290    -0.24872389
> H    -0.00000075    1.29045005    -0.24574939
> H    -0.00000075    0.70954892    -0.24574989
> Ga    1.00000050    -0.00000025    0.00682815
> Ga    1.49999874    0.49924596    0.70857798
> As    1.50000024    0.00000000    0.35277077
> As    0.99999950    0.49920484    1.06302457
> Ga    0.99999925    1.00000049    0.00921110
> Ga    1.50000024    1.50075426    0.70857948
> As    1.49999949    1.00000074    0.35474173
> As    0.99999950    1.50079488    1.06302507
> Ga    1.00000000    0.00000050    1.42032605
> Ga    1.49999974    0.50287293    2.12975309
> As    1.49999999    0.00000025    1.77702420
> As    1.00000000    0.50483913    2.48497829
> Ga    0.99999975    0.99999948    1.41672691
> Ga    1.49999949    1.49712679    2.12975209
> As    1.49999974    0.99999923    1.77125600
> As    1.00000000    1.49516135    2.48497904
> Ga    1.00000025    -0.00000176    2.83068972
> Ga    1.49999774    0.48620728    3.55158193
> As    1.49999999    -0.00000125    3.18153191
> As    0.99999925    0.47707341    3.90604332
> Ga    0.99999950    0.99999798    2.85092365
> Ga    1.49999849    1.51379294    3.55158244
> As    1.50000100    0.99999923    3.21014318
> As    1.00000000    1.52292731    3.90604307
> Ga    1.00000000    0.00000025    4.30422216
> Ga    1.49999974    0.55140319    4.97156294
> As    1.49999974    0.00000075    4.67996164
> As    1.00000000    0.69861686    5.30991586
> Ga    1.00000000    0.99999948    4.21931590
> Ga    1.49999949    1.44859754    4.97156219
> As    1.50000024    1.00000024    4.55459604
> As    1.00000000    1.30138387    5.30991436
> H    1.00000025    0.29006390    -0.24872539
> H    1.00000000    -0.29006290    -0.24872389
> H    0.99999925    1.29045005    -0.24574939
> H    0.99999925    0.70954892    -0.24574989
> K_POINTS automatic
>  4 4 1  0 0 0
>
> Best regards
> Magdalena Birowska
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> ------------------------------
>
> Message: 2
> Date: Thu, 10 May 2012 16:55:15 +0530
> From: manoj narayanan <manojnarayan86 at gmail.com>
> Subject: [Pw_forum] Shift in K points
> To: pw_forum at pwscf.org
> Message-ID:
>        <CAFy9OsnREKML3M9NigU23JspzTtQR=5AgHqA6ustmtKovWH6qA at mail.gmail.com
> >
> Content-Type: text/plain; charset="iso-8859-1"
>
> Hello all
>                          Can any one tell in detail about shift in k point
> mesh, like what and why it is ? and off course any relevant reference
> regarding this will also be helpful.
>
> Thanking you in advance
> Manoj N
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> ------------------------------
>
> Message: 3
> Date: Thu, 10 May 2012 13:45:36 +0200
> From: Giuseppe Mattioli <giuseppe.mattioli at ism.cnr.it>
> Subject: Re: [Pw_forum] GaAs surface with fractional charges H
>        Zval=1.25,      very large estimated scf accuracy
> To: pw_forum at pwscf.org
> Message-ID: <201205101345.37253.giuseppe.mattioli at ism.cnr.it>
> Content-Type: Text/Plain;  charset="iso-8859-15"
>
>
> Dear Magdalena
> Why do you suspect that your calculation has something wrong if it reaches
> convergence in a not
> unusually large number of scf steps? How does the second bfgs step,
> starting from the previous wfc
> and density, perform the scf?
>

  Yes it starts from previous wfc and density and finally I got relaxed
surface.
   But I was wondering why the scf estimated accuracy is so huge at the
beginning of my calculations.

Magda

> Giuseppe
>
> On Thursday 10 May 2012 12:57:06 Magdalena Birowska wrote:
> > Dear All,
> >
> > I am trying to relax a surface slab of GaAs which has 72 atoms.
> > I found strange behaviour of first cycle of scf convergence.
> > The estimated scf convergence is huge. I terminated Ga surface using
> > fractional charges
> > H=1.25, which I downloaded from the quantum espresso official website.
> > When I use H=1, I don't see such a behaviour.
> > Can anyone kindly suggest the possible source of error on my part.
> >
> > First cycle of SCF convergence:
> >       estimated scf accuracy    <    3906.28215610 Ry
> >      estimated scf accuracy    <   39347.40892210 Ry
> >      estimated scf accuracy    <   18170.90673442 Ry
> >      estimated scf accuracy    <   15951.19730682 Ry
> >      estimated scf accuracy    <   15662.52132268 Ry
> >      estimated scf accuracy    <   12286.77018220 Ry
> >      estimated scf accuracy    <   12233.77236956 Ry
> >      estimated scf accuracy    <   11694.83354422 Ry
> >      estimated scf accuracy    <   15271.15048386 Ry
> >      estimated scf accuracy    <   15566.68838647 Ry
> >      estimated scf accuracy    <   47265.52643459 Ry
> >      estimated scf accuracy    <   22511.42062539 Ry
> >      estimated scf accuracy    <   24008.31787289 Ry
> >      estimated scf accuracy    <   12935.76752149 Ry
> >      estimated scf accuracy    <   16811.33660587 Ry
> >      estimated scf accuracy    <   10992.92010369 Ry
> >      estimated scf accuracy    <    4144.02105761 Ry
> >      estimated scf accuracy    <   30138.05735660 Ry
> >      estimated scf accuracy    <   10240.01360270 Ry
> >      estimated scf accuracy    <   16789.80502995 Ry
> >      estimated scf accuracy    <    6254.96875173 Ry
> >      estimated scf accuracy    <    5678.83239125 Ry
> >      estimated scf accuracy    <    5653.94732457 Ry
> >      estimated scf accuracy    <    4634.85427954 Ry
> >      estimated scf accuracy    <    4748.33851037 Ry
> >      estimated scf accuracy    <    4570.74005737 Ry
> >      estimated scf accuracy    <    2807.69984889 Ry
> >      estimated scf accuracy    <    5304.65877872 Ry
> >      estimated scf accuracy    <    2066.38501462 Ry
> >      estimated scf accuracy    <   17495.61285271 Ry
> >      estimated scf accuracy    <   18676.38196709 Ry
> >      estimated scf accuracy    <   10884.14492461 Ry
> >      estimated scf accuracy    <   17200.92388789 Ry
> >      estimated scf accuracy    <    1160.48758157 Ry
> >      estimated scf accuracy    <    1080.24247591 Ry
> >      estimated scf accuracy    <     399.14797137 Ry
> >      estimated scf accuracy    <     122.19296219 Ry
> >      estimated scf accuracy    <      99.50315590 Ry
> >      estimated scf accuracy    <      55.04456371 Ry
> >      estimated scf accuracy    <       9.17378773 Ry
> >      estimated scf accuracy    <       1.52941820 Ry
> >      estimated scf accuracy    <       4.24567233 Ry
> >      estimated scf accuracy    <      31.40572065 Ry
> >      estimated scf accuracy    <       0.15173499 Ry
> >      estimated scf accuracy    <       0.25128323 Ry
> >      estimated scf accuracy    <       0.08254494 Ry
> >      estimated scf accuracy    <       0.04825066 Ry
> >      estimated scf accuracy    <       0.02330525 Ry
> >      estimated scf accuracy    <       0.01482943 Ry
> >      estimated scf accuracy    <       0.00395579 Ry
> >      estimated scf accuracy    <       0.00021627 Ry
> >      estimated scf accuracy    <       0.00002718 Ry
> >      estimated scf accuracy    <       0.00001596 Ry
> >      estimated scf accuracy    <       0.00000423 Ry
> >      estimated scf accuracy    <       0.00000096 Ry
> >      estimated scf accuracy    <       0.00000049 Ry
> >      estimated scf accuracy    <       0.00000040 Ry
> >      estimated scf accuracy    <       0.00000004 Ry
> >      estimated scf accuracy    <          8.2E-09 Ry
> >
> > My input file:
> >
> >   &CONTROL
> >    calculation =   "relax"   ,
> >    restart_mode = 'from_scratch' ,
> >    outdir='/tmp/GaAs/' ,
> >    pseudo_dir = './' ,
> >    prefix='GaAs'
> >    disk_io = 'default' ,
> >   ! verbosity = 'default' ,
> >    tstress = .true. ,
> >    tprnfor = .true. ,
> >    nstep =  200  ,
> >                etot_conv_thr = 1.0E-5  ,
> >                forc_conv_thr = 1.0D-6 ,
> >                     !  iprint = 3 ,
> >                  max_seconds = 6000000 ,
> >                           dt = 1000000 ,
> >  /
> >  &SYSTEM
> >    ibrav = 0 ,
> >    celldm(1) =7.383383939,
> >    ! B = 3.70971016 ,
> >    ! C = 3.70971016 ,
> >    ! cosAB = 0.49517470 ,
> >    ! cosAC = 0.49517470 ,
> >    !  cosBC = 0.49517470 ,
> >                          nat  =  72 ,
> >                         ntyp  =  3 ,
> >                        ecutwfc  =  40.0 ,
> >                        !ecutrho  =  320.0 ,
> >                        occupations  =  'smearing' ,
> >                       smearing  =  'fd' ,
> >                       degauss  =  0.005 ,
> >                       !nspin  =  2 ,
> >                       lda_plus_u  =  .false. ,
> >
> >   !celldm(1)   = 3.907118519,
> >   !celldm(3)   = 10.D0,
> >
> >  /
> >  &ELECTRONS
> >             electron_maxstep  =  700  ,
> >                     conv_thr  =  1.0d-8  ,
> >              diagonalization   =   'cg'   ,
> >  /
> >  &IONS
> >  bfgs_ndim =3,
> >  pot_extrapolation='atomic',
> >  /
> >  &CELL
> >    cell_dynamics = 'damp-w' ,
> >    press = 0.00 ,
> >   ! wmass =  0.00700000  ,
> >     cell_dofree = 'xyz' ,
> >  /
> > CELL_PARAMETERS cubic
> >  2.00000   0.000000  0.000000
> >  0.00000   2.000000  0.000000
> >  0.00000   0.000000  10.00000
> > ATOMIC_SPECIES
> >  Ga  69.723    Ga.rrkj3.UPF
> >  As  74.922    As.rrkj3.UPF
> >  H 1.00794 H-1.25.UPF
> > ATOMIC_POSITIONS {alat}
> > Ga    0.00000050    -0.00000025    0.00682815
> > Ga    0.49999874    0.49924596    0.70857798
> > As    0.50000024    0.00000000    0.35277077
> > As    -0.00000050    0.49920484    1.06302457
> > Ga    -0.00000075    1.00000049    0.00921110
> > Ga    0.50000024    1.50075426    0.70857948
> > As    0.49999949    1.00000074    0.35474173
> > As    -0.00000050    1.50079488    1.06302507
> > Ga    0.00000000    0.00000050    1.42032605
> > Ga    0.49999974    0.50287293    2.12975309
> > As    0.49999999    0.00000025    1.77702420
> > As    0.00000000    0.50483913    2.48497829
> > Ga    -0.00000025    0.99999948    1.41672691
> > Ga    0.49999949    1.49712679    2.12975209
> > As    0.49999974    0.99999923    1.77125600
> > As    0.00000000    1.49516135    2.48497904
> > Ga    0.00000025    -0.00000176    2.83068972
> > Ga    0.49999774    0.48620728    3.55158193
> > As    0.49999999    -0.00000125    3.18153191
> > As    -0.00000075    0.47707341    3.90604332
> > Ga    -0.00000050    0.99999798    2.85092365
> > Ga    0.49999849    1.51379294    3.55158244
> > As    0.50000100    0.99999923    3.21014318
> > As    0.00000000    1.52292731    3.90604307
> > Ga    0.00000000    0.00000025    4.30422216
> > Ga    0.49999974    0.55140319    4.97156294
> > As    0.49999974    0.00000075    4.67996164
> > As    0.00000000    0.69861686    5.30991586
> > Ga    0.00000000    0.99999948    4.21931590
> > Ga    0.49999949    1.44859754    4.97156219
> > As    0.50000024    1.00000024    4.55459604
> > As    0.00000000    1.30138387    5.30991436
> > H    0.00000025    0.29006390    -0.24872539
> > H    0.00000000    -0.29006290    -0.24872389
> > H    -0.00000075    1.29045005    -0.24574939
> > H    -0.00000075    0.70954892    -0.24574989
> > Ga    1.00000050    -0.00000025    0.00682815
> > Ga    1.49999874    0.49924596    0.70857798
> > As    1.50000024    0.00000000    0.35277077
> > As    0.99999950    0.49920484    1.06302457
> > Ga    0.99999925    1.00000049    0.00921110
> > Ga    1.50000024    1.50075426    0.70857948
> > As    1.49999949    1.00000074    0.35474173
> > As    0.99999950    1.50079488    1.06302507
> > Ga    1.00000000    0.00000050    1.42032605
> > Ga    1.49999974    0.50287293    2.12975309
> > As    1.49999999    0.00000025    1.77702420
> > As    1.00000000    0.50483913    2.48497829
> > Ga    0.99999975    0.99999948    1.41672691
> > Ga    1.49999949    1.49712679    2.12975209
> > As    1.49999974    0.99999923    1.77125600
> > As    1.00000000    1.49516135    2.48497904
> > Ga    1.00000025    -0.00000176    2.83068972
> > Ga    1.49999774    0.48620728    3.55158193
> > As    1.49999999    -0.00000125    3.18153191
> > As    0.99999925    0.47707341    3.90604332
> > Ga    0.99999950    0.99999798    2.85092365
> > Ga    1.49999849    1.51379294    3.55158244
> > As    1.50000100    0.99999923    3.21014318
> > As    1.00000000    1.52292731    3.90604307
> > Ga    1.00000000    0.00000025    4.30422216
> > Ga    1.49999974    0.55140319    4.97156294
> > As    1.49999974    0.00000075    4.67996164
> > As    1.00000000    0.69861686    5.30991586
> > Ga    1.00000000    0.99999948    4.21931590
> > Ga    1.49999949    1.44859754    4.97156219
> > As    1.50000024    1.00000024    4.55459604
> > As    1.00000000    1.30138387    5.30991436
> > H    1.00000025    0.29006390    -0.24872539
> > H    1.00000000    -0.29006290    -0.24872389
> > H    0.99999925    1.29045005    -0.24574939
> > H    0.99999925    0.70954892    -0.24574989
> > K_POINTS automatic
> >   4 4 1  0 0 0
> >
> > Best regards
> > Magdalena Birowska
>
> --
> ********************************************************
> - Article premier - Les hommes naissent et demeurent
> libres et ?gaux en droits. Les distinctions sociales
> ne peuvent ?tre fond?es que sur l'utilit? commune
> - Article 2 - Le but de toute association politique
> est la conservation des droits naturels et
> imprescriptibles de l'homme. Ces droits sont la libert?,
> la propri?t?, la s?ret? et la r?sistance ? l'oppression.
> ********************************************************
>
>   Giuseppe Mattioli
>   CNR - ISTITUTO DI STRUTTURA DELLA MATERIA
>   v. Salaria Km 29,300 - C.P. 10
>   I 00015 - Monterotondo Stazione (RM)
>   Tel + 39 06 90672836 - Fax +39 06 90672316
>   E-mail: <giuseppe.mattioli at ism.cnr.it>
>
>
> ------------------------------
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum
>
>
> End of Pw_forum Digest, Vol 59, Issue 19
> ****************************************
>
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