[Pw_forum] Pw_forum Digest, Vol 75, Issue 13
Jeffrey De Lile
jeff2007_delile at yahoo.com
Tue Oct 15 14:15:24 CEST 2013
Dear Tone,
Thanks for your suggestion. However, it still give me the same error
I have bin in PWgui-5.0.2 :
vampire at vampire-HP-ProBook-4530s:~/tools/PWgui-5.0.2$ ls -a
. COPYING INSTALL pwgui_reformat sample.pw.err VERSION
.. COPYRIGHT lib pwgui_reformat.tcl sample.pw.in
AUTHORS doc modules pwgui.settings src
bin examples NEWS pwgui.tcl tests
BUGS images pwgui README THANKS
ChangeLog init.tcl pwgui.bat README.developer TODO
vampire at vampire-HP-ProBook-4530s:~/tools/PWgui-5.0.2$ cd bin
vampire at vampire-HP-ProBook-4530s:~/tools/PWgui-5.0.2/bin$ ls -a
. ..
vampire at vampire-HP-ProBook-4530s:~/tools/PWgui-5.0.2/bin$
Still the error is the same :
./pwgui: 74: ./pwgui: /home/vampire/tools/PWgui-5.0.2/bin/itkwish: not found
vampire at vampire-HP-ProBook-4530s:~/tools/PWgui-5.0.2$
I searched for ITK3 and found there are itk3 in my system.:
/usr/lib/libitk3.3.so.1
/usr/share/doc/itk3
/usr/share/doc/itk3/INCOMPATIBLE.gz
/usr/share/doc/itk3/README.Debian
/usr/share/doc/itk3/README.gz
/usr/share/doc/itk3/TODO
/usr/share/doc/itk3/changelog.Debian.gz
/usr/share/doc/itk3/copyright
/usr/share/lintian/overrides/itk3
/usr/share/tcltk/itk3.3
/usr/share/tcltk/itk3.3/Archetype.itk
/usr/share/tcltk/itk3.3/Toplevel.itk
/usr/share/tcltk/itk3.3/Widget.itk
/usr/share/tcltk/itk3.3/itk.tcl
/usr/share/tcltk/itk3.3/pkgIndex.tcl
/usr/share/tcltk/itk3.3/tclIndex
/var/cache/apt/archives/itk3_3.3-3_i386.deb
/var/lib/dpkg/info/itk3.list
/var/lib/dpkg/info/itk3.md5sums
/var/lib/dpkg/info/itk3.postinst
/var/lib/dpkg/info/itk3.postrm
/var/lib/dpkg/info/itk3.shlibs
However, the software search this in PWgui-5.0.2/bin directory which is of course empty from itk3. So what should I do? I am so sorry to trouble all of you with this installation problems.
On Tuesday, October 15, 2013 6:04 PM, "pw_forum-request at pwscf.org" <pw_forum-request at pwscf.org> wrote:
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Today's Topics:
1. Namelist error (Yusuf Zuntu)
2. Re: Namelist error (Julen Larrucea)
3. Re: Namelist error (Giovanni Cantele)
4. Re: Namelist error (Yusuf Zuntu)
5. Re: Namelist error (Yusuf Zuntu)
6. (no subject) (Anik Shrivastava)
7. Error in routine read_namelists (17): reading namelist system
(Chukwuemeka Okoye)
8. Re: (no subject) (Layla Martin-Samos)
9. Re: Error in routine read_namelists (17): reading namelist
system (stefano de gironcoli)
10. Re: Error in routine read_namelists (17): reading namelist
system (Paolo Giannozzi)
11. Re: Error in routine read_namelists (17): reading namelist
system (Bertrand SITAMTZE)
12. uniaxial strain on monolayer of transition metal di
chalcogenides (Sohail Ahmad)
13. Error in ROUTINE BROYDEN (1) (Elio Physics)
14. Mn psuedopotential (lata pandit)
15. Re: Mn psuedopotential (Emine Kucukbenli)
16. PWgui-5.0.2 error (Jeffrey De Lile)
17. Re: PWgui-5.0.2 error (Tone Kokalj)
----------------------------------------------------------------------
Message: 1
Date: Mon, 14 Oct 2013 03:02:31 -0700 (PDT)
From: Yusuf Zuntu <yzunt at yahoo.com>
Subject: [Pw_forum] Namelist error
To: "pw_forum at pwscf.org" <pw_forum at pwscf.org>
Message-ID:
<1381744951.90783.YahooMailNeo at web140705.mail.bf1.yahoo.com>
Content-Type: text/plain; charset="us-ascii"
Dear All,
Please help me reconcile this persistent error. I am trying to run relax calculation of
Armchir BN nanoribbons. This error informations keeps showing.
Parallel version (MPI), running on 1 processors
Current dimensions of program PWSCF are:
Max number of different atomic species (ntypx) = 10
Max number of k-points (npk) = 40000
Max angular momentum in pseudopotentials (lmaxx) = 3
Waiting for input...
Reading input from standard input
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Error in routine read_namelists (5010):
reading namelist system
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
stopping ...
Below are my input parameters
&CONTROL
calculation = 'relax' ,
title = 'abnnh44'
restart_mode = 'from_scratch' ,
prefix = 'abnnh44rlx'
outdir = '/home/...' ,
pseudo_dir = '/home/..... ,
tstress = .true. ,
tprnfor = .true. ,
/
&SYSTEM
ibrav = 8,
celldm(1) = 36.6767,
celldm(2) = 0.64424,
celldm(3) = 1.27131,
nat = 44,
ntyp = 3,
ecutwfc = 30 ,
ecutrho = 160 ,
tot_charge = 0.0,
ccupations = 'smearing' ,
degauss = 0.02 ,
smearing = 'marzari-vanderbilt' ,
/
&ELECTRONS
conv_thr = 1.D-6 ,
mixing_beta = 0.3D0 ,
/
&IONS
ion_dynamics = 'bfgs' ,
pot_extrapolation = 'second_order' ,
wfc_extrapolation = 'second_order' ,
/
ATOMIC_SPECIES
B 10.811 B.pbe-n-van_ak.UPF
N 14.0067 N.pbe-van_ak.UPF
H 1.00794 H.pbe-van_ak.UPF
ATOMIC_POSITIONS (angstrom)
H 5.075 2.0 6.7473
H 7.975 2.0 6.7473
H 9.425 2.0 6.7473
H 12.275 2.0 6.7473
B 5.8 2.0 7.53
N 7.25 2.0 7.53
B 10.15 2.0 7.53
N 11.6 2.0 7.53
N 5.075 2.0 8.785
B 7.975 2.0 8.785
N 9.425 2.0 8.785
B 12.275 2.0 8.785
B 5.8 2.0 10.04
N 7.25 2.0 10.04
B 10.15 2.0 10.04
N 11.6 2.0 10.04
N 5.075 2.0 11.295
B 7.975 2.0 11.295
N 9.425 2.0 11.295
B 12.275 2.0 11.295
B 5.8 2.0 12.55
N 7.25 2.0 12.55
B 10.15 2.0 12.55
N 11.6 2.0 12.55
N 5.075 2.0 13.805
B 7.975 2.0 13.805
N 9.425 2.0 13.805
B 12.275 2.0 13.805
B 5.8 2.0 15.06
N 7.25 2.0 15.06
B 10.15 2.0 15.06
N 11.6 2.0 15.06
N 5.075 2.0 16.315
B 7.975 2.0 16.315
N 9.425 2.0 16.315
B 12.275 2.0 16.315
B 5.8 2.0 17.57
N 7.25 2.0 17.57
B 10.15 2.0 17.57
N 11.6 2.0 17.57
H 5.075 2.0 18.3973
H 7.975 2.0 18.3973
H 9.425 2.0 18.3973
H 12.275 2.0 18.3973
K_POINTS automatic
4 1 1 0 0 0
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Message: 2
Date: Mon, 14 Oct 2013 12:38:51 +0200
From: Julen Larrucea <julenlist at gmail.com>
Subject: Re: [Pw_forum] Namelist error
To: Yusuf Zuntu <yzunt at yahoo.com>, PWSCF Forum <pw_forum at pwscf.org>
Message-ID:
<CA+yC+7zTLXyf04pZE3AiEBwseWco1GuGcBBx175tvwKYNYi-Eg at mail.gmail.com>
Content-Type: text/plain; charset="iso-8859-1"
Dear Yusuf,
apparently, you missed this newline
B 12.275 2.0 11.295
B 5.8 2.0 12.55
N <========
7.25 2.0 12.55
B 10.15 2.0 12.55
N 11.6 2.0 12.55
change it to:
N 7.25 2.0 12.55
Best regards
On Mon, Oct 14, 2013 at 12:02 PM, Yusuf Zuntu <yzunt at yahoo.com> wrote:
> Dear All,
> Please help me reconcile this persistent error. I am trying to run relax calculation of
> Armchir BN nanoribbons. This error informations keeps showing.
>
> Parallel version (MPI), running on 1 processors
>
> Current dimensions of program PWSCF are:
> Max number of different atomic species (ntypx) = 10
> Max number of k-points (npk) = 40000
> Max angular momentum in pseudopotentials (lmaxx) = 3
> Waiting for input...
> Reading input from standard input
>
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
> Error in routine read_namelists (5010):
> reading namelist system
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>
> stopping
> ...
>
> Below are my input parameters
>
>
> &CONTROL
> calculation = 'relax' ,
> title = 'abnnh44'
> restart_mode = 'from_scratch' ,
> prefix = 'abnnh44rlx'
> outdir = '/home/...' ,
> pseudo_dir = '/home/..... ,
> tstress = .true. ,
> tprnfor = .true. ,
> /
> &SYSTEM
> ibrav = 8,
> celldm(1) = 36.6767,
> celldm(2) = 0.64424,
> celldm(3) = 1.27131,
> nat = 44,
> ntyp = 3,
> ecutwfc = 30 ,
> ecutrho = 160 ,
> tot_charge = 0.0,
> ccupations = 'smearing' ,
> degauss = 0.02 ,
> smearing = 'marzari-vanderbilt'
> ,
> /
> &ELECTRONS
> conv_thr = 1.D-6 ,
> mixing_beta = 0.3D0 ,
> /
> &IONS
> ion_dynamics = 'bfgs' ,
> pot_extrapolation = 'second_order' ,
> wfc_extrapolation = 'second_order' ,
> /
> ATOMIC_SPECIES
> B 10.811 B.pbe-n-van_ak.UPF
> N 14.0067 N.pbe-van_ak.UPF
> H 1.00794 H.pbe-van_ak.UPF
> ATOMIC_POSITIONS (angstrom)
> H 5.075 2.0 6.7473
> H 7.975 2.0 6.7473
> H 9.425 2.0 6.7473
> H 12.275 2.0 6.7473
> B 5.8 2.0 7.53
> N 7.25 2.0 7.53
> B 10.15 2.0 7.53
> N 11.6 2.0 7.53
> N 5.075 2.0 8.785
> B 7.975 2.0 8.785
> N 9.425 2.0 8.785
> B 12.275 2.0 8.785
> B 5.8 2.0 10.04
> N 7.25 2.0 10.04
> B 10.15 2.0 10.04
> N 11.6 2.0 10.04
> N 5.075 2.0 11.295
> B 7.975 2.0 11.295
> N 9.425 2.0 11.295
> B 12.275 2.0 11.295
> B 5.8 2.0 12.55
> N
> 7.25 2.0 12.55
> B 10.15 2.0 12.55
> N 11.6 2.0 12.55
> N 5.075 2.0 13.805
> B 7.975 2.0 13.805
> N 9.425 2.0 13.805
> B 12.275 2.0 13.805
> B 5.8 2.0 15.06
> N 7.25 2.0 15.06
> B 10.15 2.0 15.06
> N 11.6 2.0 15.06
> N 5.075 2.0 16.315
> B 7.975 2.0 16.315
> N 9.425 2.0 16.315
> B 12.275 2.0 16.315
> B 5.8 2.0 17.57
> N 7.25 2.0 17.57
> B 10.15 2.0 17.57
> N 11.6 2.0 17.57
> H 5.075 2.0 18.3973
> H 7.975 2.0 18.3973
> H 9.425 2.0 18.3973
> H 12.275 2.0 18.3973
> K_POINTS automatic
> 4 1 1 0 0 0
>
>
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum
>
--
--
Dr. Julen Larrucea
Postdoctoral researcher,BCCMS, HMI Group, University of Bremen
Phone: +49 421 218 64582
Fax: +49 421 218 64599
http://www.larrucea.eu
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------------------------------
Message: 3
Date: Mon, 14 Oct 2013 12:41:53 +0200
From: Giovanni Cantele <giovanni.cantele at spin.cnr.it>
Subject: Re: [Pw_forum] Namelist error
To: PWSCF Forum <pw_forum at pwscf.org>
Message-ID: <877DA23D-0073-46DE-AF7B-7613BD370242 at spin.cnr.it>
Content-Type: text/plain; charset="us-ascii"
On Oct 14, 2013, at 12:02 PM, Yusuf Zuntu <yzunt at yahoo.com> wrote:
> Dear All,
> Please help me reconcile this persistent error. I am trying to run relax calculation of
> Armchir BN nanoribbons. This error informations keeps showing.
>
> Parallel version (MPI), running on 1 processors
>
> Current dimensions of program PWSCF are:
> Max number of different atomic species (ntypx) = 10
> Max number of k-points (npk) = 40000
> Max angular momentum in pseudopotentials (lmaxx) = 3
> Waiting for input...
> Reading input from standard input
>
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
> Error in routine read_namelists (5010):
> reading namelist system
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>
> stopping
> ...
>
> Below are my input parameters
>
>
> &CONTROL
> calculation = 'relax' ,
> title = 'abnnh44'
> restart_mode = 'from_scratch' ,
> prefix = 'abnnh44rlx'
> outdir = '/home/...' ,
> pseudo_dir = '/home/..... ,
> tstress = .true. ,
> tprnfor = .true. ,
> /
> &SYSTEM
> ibrav = 8,
> celldm(1) = 36.6767,
> celldm(2) = 0.64424,
> celldm(3) = 1.27131,
> nat = 44,
> ntyp = 3,
> ecutwfc = 30 ,
> ecutrho = 160 ,
> tot_charge = 0.0,
> ccupations = 'smearing' ,
> degauss = 0.02 ,
> smearing = 'marzari-vanderbilt'
> ,
> /
> &ELECTRONS
> conv_thr = 1.D-6 ,
> mixing_beta = 0.3D0 ,
> /
> &IONS
> ion_dynamics = 'bfgs' ,
> pot_extrapolation = 'second_order' ,
> wfc_extrapolation = 'second_order' ,
> /
> ATOMIC_SPECIES
> B 10.811 B.pbe-n-van_ak.UPF
> N 14.0067 N.pbe-van_ak.UPF
> H 1.00794 H.pbe-van_ak.UPF
> ATOMIC_POSITIONS (angstrom)
> H 5.075 2.0 6.7473
> H 7.975 2.0 6.7473
> H 9.425 2.0 6.7473
> H 12.275 2.0 6.7473
> B 5.8 2.0 7.53
> N 7.25 2.0 7.53
> B 10.15 2.0 7.53
> N 11.6 2.0 7.53
> N 5.075 2.0 8.785
> B 7.975 2.0 8.785
> N 9.425 2.0 8.785
> B 12.275 2.0 8.785
> B 5.8 2.0 10.04
> N 7.25 2.0 10.04
> B 10.15 2.0 10.04
> N 11.6 2.0 10.04
> N 5.075 2.0 11.295
> B 7.975 2.0 11.295
> N 9.425 2.0 11.295
> B 12.275 2.0 11.295
> B 5.8 2.0 12.55
> N
> 7.25 2.0 12.55
> B 10.15 2.0 12.55
> N 11.6 2.0 12.55
> N 5.075 2.0 13.805
> B 7.975 2.0 13.805
> N 9.425 2.0 13.805
> B 12.275 2.0 13.805
> B 5.8 2.0 15.06
> N 7.25 2.0 15.06
> B 10.15 2.0 15.06
> N 11.6 2.0 15.06
> N 5.075 2.0 16.315
> B 7.975 2.0 16.315
> N 9.425 2.0 16.315
> B 12.275 2.0 16.315
> B 5.8 2.0 17.57
> N 7.25 2.0 17.57
> B 10.15 2.0 17.57
> N 11.6 2.0 17.57
> H 5.075 2.0 18.3973
> H 7.975 2.0 18.3973
> H 9.425 2.0 18.3973
> H 12.275 2.0 18.3973
> K_POINTS automatic
> 4 1 1 0 0 0
>
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum
Such an error means that there is some misspelling in the variable names of your input files.
If you correctly reported the input file, you can notice that the name list "SYSTEM", as pointed out in the output file,
contains a wrong variable ("ccupations" instead of "occupations").
Giovanni
--
**** PLEASE NOTICE THE NEW E-MAIL ADDRESS: giovanni.cantele at spin.cnr.it
Giovanni Cantele, PhD
CNR-SPIN
c/o Dipartimento di Scienze Fisiche
Universita' di Napoli "Federico II"
Complesso Universitario M. S. Angelo - Ed. 6
Via Cintia, I-80126, Napoli, Italy
Phone: +39 081 676910
Skype contact: giocan74
ResearcherID: http://www.researcherid.com/rid/A-1951-2009
Web page: http://people.na.infn.it/~cantele
http://www.nanomat.unina.it
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Message: 4
Date: Mon, 14 Oct 2013 04:04:09 -0700 (PDT)
From: Yusuf Zuntu <yzunt at yahoo.com>
Subject: Re: [Pw_forum] Namelist error
To: PWSCF Forum <pw_forum at pwscf.org>
Message-ID:
<1381748649.26810.YahooMailNeo at web140701.mail.bf1.yahoo.com>
Content-Type: text/plain; charset="iso-8859-1"
Dear Giovanni
Thank you very much for wonderful observation.
On Monday, October 14, 2013 6:43 PM, Giovanni Cantele <giovanni.cantele at spin.cnr.it> wrote:
On Oct 14, 2013, at 12:02 PM, Yusuf Zuntu <yzunt at yahoo.com> wrote:
Dear All,
>Please help me reconcile this persistent error. I am trying to run relax calculation of
>Armchir BN nanoribbons. This error informations keeps showing.
>
>Parallel version (MPI), running on 1 processors
>
>Current dimensions of program PWSCF are:
>Max number of different atomic species (ntypx) = 10
>Max number of k-points (npk) = 40000
>Max angular momentum in pseudopotentials (lmaxx) = 3
>Waiting for input...
>Reading input from standard input
>
>%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>Error in routine read_namelists (5010):
>reading namelist system
>%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>
>stopping
...
>
>Below are my input parameters
>
>
>&CONTROL
>calculation = 'relax' ,
>title = 'abnnh44'
>restart_mode = 'from_scratch' ,
>prefix = 'abnnh44rlx'
>outdir = '/home/...' ,
>pseudo_dir = '/home/..... ,
>tstress = .true. ,
>tprnfor = .true. ,
>/
>&SYSTEM
>ibrav = 8,
>celldm(1) = 36.6767,
>celldm(2) = 0.64424,
>celldm(3) = 1.27131,
>nat = 44,
>ntyp = 3,
>ecutwfc = 30 ,
>ecutrho = 160 ,
>tot_charge = 0.0,
>ccupations = 'smearing' ,
>degauss = 0.02 ,
>smearing = 'marzari-vanderbilt'
,
>/
>&ELECTRONS
>conv_thr = 1.D-6 ,
>mixing_beta = 0.3D0 ,
>/
>&IONS
>ion_dynamics = 'bfgs' ,
>pot_extrapolation = 'second_order' ,
>wfc_extrapolation = 'second_order' ,
>/
>ATOMIC_SPECIES
>B 10.811 B.pbe-n-van_ak.UPF
>N 14.0067 N.pbe-van_ak.UPF
>H 1.00794 H.pbe-van_ak.UPF
>ATOMIC_POSITIONS (angstrom)
>H 5.075 2.0 6.7473
>H 7.975 2.0 6.7473
>H 9.425 2.0 6.7473
>H 12.275 2.0 6.7473
>B 5.8 2.0 7.53
>N 7.25 2.0 7.53
>B 10.15 2.0 7.53
>N 11.6 2.0 7.53
>N 5.075 2.0 8.785
>B 7.975 2.0 8.785
>N 9.425 2.0 8.785
>B 12.275 2.0 8.785
>B 5.8 2.0 10.04
>N 7.25 2.0 10.04
>B 10.15 2.0 10.04
>N 11.6 2.0 10.04
>N 5.075 2.0 11.295
>B 7.975 2.0 11.295
>N 9.425 2.0 11.295
>B 12.275 2.0 11.295
>B 5.8 2.0 12.55
>N
7.25 2.0 12.55
>B 10.15 2.0 12.55
>N 11.6 2.0 12.55
>N 5.075 2.0 13.805
>B 7.975 2.0 13.805
>N 9.425 2.0 13.805
>B 12.275 2.0 13.805
>B 5.8 2.0 15.06
>N 7.25 2.0 15.06
>B 10.15 2.0 15.06
>N 11.6 2.0 15.06
>N 5.075 2.0 16.315
>B 7.975 2.0 16.315
>N 9.425 2.0 16.315
>B 12.275 2.0 16.315
>B 5.8 2.0 17.57
>N 7.25 2.0 17.57
>B 10.15 2.0 17.57
>N 11.6 2.0 17.57
>H 5.075 2.0 18.3973
>H 7.975 2.0 18.3973
>H 9.425 2.0 18.3973
>H 12.275 2.0 18.3973
>K_POINTS automatic
>4 1 1 0 0 0
>
>
>_______________________________________________
>Pw_forum mailing list
>Pw_forum at pwscf.org
>http://pwscf.org/mailman/listinfo/pw_forum
Such an error means that there is some misspelling in the variable names of your input files.
If you correctly reported the input file, you can notice that the name list "SYSTEM", as pointed out in the output file,
contains a wrong variable ("ccupations" instead of "occupations").
Giovanni
--
**** PLEASE NOTICE THE NEW E-MAIL ADDRESS: giovanni.cantele at spin.cnr.it
Giovanni Cantele, PhD
CNR-SPIN
c/o Dipartimento di Scienze Fisiche
Universita' di Napoli "Federico II"
Complesso Universitario M. S. Angelo - Ed. 6
Via Cintia, I-80126, Napoli, Italy
Phone: +39 081 676910
Skype contact: giocan74
ResearcherID: http://www.researcherid.com/rid/A-1951-2009
Web page: http://people.na.infn.it/~cantele
?? ? ? ? ? ? ? ? ? ? http://www.nanomat.unina.it
_______________________________________________
Pw_forum mailing list
Pw_forum at pwscf.org
http://pwscf.org/mailman/listinfo/pw_forum
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Message: 5
Date: Mon, 14 Oct 2013 04:06:00 -0700 (PDT)
From: Yusuf Zuntu <yzunt at yahoo.com>
Subject: Re: [Pw_forum] Namelist error
To: PWSCF Forum <pw_forum at pwscf.org>
Message-ID:
<1381748760.48055.YahooMailNeo at web140706.mail.bf1.yahoo.com>
Content-Type: text/plain; charset="iso-8859-1"
Dear Larrucea
Thank you very much for your response.
On , Yusuf Zuntu <yzunt at yahoo.com> wrote:
Dear Giovanni
Thank you very much for wonderful observation.
On Monday, October 14, 2013 6:43 PM, Giovanni Cantele <giovanni.cantele at spin.cnr.it> wrote:
On Oct 14, 2013, at 12:02 PM, Yusuf Zuntu <yzunt at yahoo.com> wrote:
Dear All,
>Please help me reconcile this persistent error. I am trying to run relax calculation of
>Armchir BN nanoribbons. This error informations keeps showing.
>
>Parallel version (MPI), running on 1 processors
>
>Current dimensions of program PWSCF are:
>Max number of different atomic species (ntypx) = 10
>Max number of k-points (npk) = 40000
>Max angular momentum in pseudopotentials
(lmaxx) = 3
>Waiting for input...
>Reading input from standard input
>
>%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>Error in routine read_namelists (5010):
>reading namelist system
>%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>
>stopping
...
>
>Below are my input parameters
>
>
>&CONTROL
>calculation = 'relax' ,
>title = 'abnnh44'
>restart_mode = 'from_scratch' ,
>prefix = 'abnnh44rlx'
>outdir = '/home/...' ,
>pseudo_dir = '/home/..... ,
>tstress = .true. ,
>tprnfor = .true. ,
>/
>&SYSTEM
>ibrav = 8,
>celldm(1) = 36.6767,
>celldm(2) = 0.64424,
>celldm(3) = 1.27131,
>nat = 44,
>ntyp = 3,
>ecutwfc = 30 ,
>ecutrho = 160 ,
>tot_charge = 0.0,
>ccupations = 'smearing' ,
>degauss = 0.02 ,
>smearing = 'marzari-vanderbilt'
,
>/
>&ELECTRONS
>conv_thr = 1.D-6 ,
>mixing_beta = 0.3D0 ,
>/
>&IONS
>ion_dynamics = 'bfgs' ,
>pot_extrapolation = 'second_order' ,
>wfc_extrapolation = 'second_order' ,
>/
>ATOMIC_SPECIES
>B 10.811 B.pbe-n-van_ak.UPF
>N 14.0067 N.pbe-van_ak.UPF
>H 1.00794 H.pbe-van_ak.UPF
>ATOMIC_POSITIONS (angstrom)
>H 5.075 2.0 6.7473
>H 7.975 2.0 6.7473
>H 9.425 2.0 6.7473
>H 12.275 2.0 6.7473
>B 5.8 2.0 7.53
>N 7.25 2.0 7.53
>B 10.15 2.0 7.53
>N 11.6 2.0 7.53
>N 5.075 2.0
8.785
>B 7.975 2.0 8.785
>N 9.425 2.0 8.785
>B 12.275 2.0 8.785
>B 5.8 2.0 10.04
>N 7.25 2.0 10.04
>B 10.15 2.0 10.04
>N 11.6 2.0 10.04
>N 5.075 2.0 11.295
>B 7.975 2.0 11.295
>N 9.425 2.0 11.295
>B 12.275 2.0 11.295
>B 5.8 2.0 12.55
>N
7.25 2.0 12.55
>B 10.15 2.0 12.55
>N 11.6 2.0 12.55
>N 5.075 2.0 13.805
>B 7.975 2.0 13.805
>N 9.425 2.0 13.805
>B 12.275 2.0 13.805
>B 5.8 2.0 15.06
>N 7.25 2.0 15.06
>B 10.15 2.0 15.06
>N 11.6 2.0 15.06
>N 5.075 2.0 16.315
>B 7.975 2.0 16.315
>N 9.425 2.0 16.315
>B 12.275 2.0 16.315
>B 5.8 2.0 17.57
>N 7.25 2.0 17.57
>B 10.15 2.0 17.57
>N 11.6 2.0 17.57
>H 5.075 2.0 18.3973
>H 7.975 2.0 18.3973
>H 9.425 2.0 18.3973
>H 12.275 2.0 18.3973
>K_POINTS automatic
>4 1 1 0 0 0
>
>
>_______________________________________________
>Pw_forum mailing list
>Pw_forum at pwscf.org
>http://pwscf.org/mailman/listinfo/pw_forum
Such an error means that there is some misspelling in the variable names of your input files.
If you correctly reported the input file, you can notice that the name list "SYSTEM", as pointed out in the output file,
contains a wrong variable ("ccupations" instead of "occupations").
Giovanni
--
**** PLEASE NOTICE THE NEW E-MAIL ADDRESS: giovanni.cantele at spin.cnr.it
Giovanni Cantele, PhD
CNR-SPIN
c/o Dipartimento di Scienze Fisiche
Universita' di Napoli "Federico II"
Complesso Universitario M. S. Angelo - Ed. 6
Via Cintia, I-80126, Napoli, Italy
Phone: +39 081 676910
Skype contact: giocan74
ResearcherID: http://www.researcherid.com/rid/A-1951-2009
Web page: http://people.na.infn.it/~cantele
?? ? ? ? ? ? ? ? ? ? http://www.nanomat.unina.it
_______________________________________________
Pw_forum mailing list
Pw_forum at pwscf.org
http://pwscf.org/mailman/listinfo/pw_forum
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Message: 6
Date: Mon, 14 Oct 2013 17:57:17 +0530
From: Anik Shrivastava <anikshrivastava05 at gmail.com>
Subject: [Pw_forum] (no subject)
To: pw_forum at pwscf.org
Message-ID:
<CAH_pNQz-S+BQGpGM_6WxkWSOWhwqvZtwSHFzWzqWNTqvXEhQoQ at mail.gmail.com>
Content-Type: text/plain; charset=ISO-8859-1
Dear all
can any one tell how can i anneal and quench a binary or ternary
system e.g. Fe80B20 or Fe71B10Si19, i am asking about bulk metallic
glass to get structural change information.
Anik shrivastava
Senior Research Fellow
Naval Materials Research Lab,DRDO
Mumbai-400085
India
------------------------------
Message: 7
Date: Mon, 14 Oct 2013 06:08:26 -0700 (PDT)
From: Chukwuemeka Okoye <okoyecmi at yahoo.com>
Subject: [Pw_forum] Error in routine read_namelists (17): reading
namelist system
To: "pw_forum at pwscf.org" <pw_forum at pwscf.org>
Message-ID:
<1381756106.48327.YahooMailNeo at web122305.mail.ne1.yahoo.com>
Content-Type: text/plain; charset="iso-8859-1"
Dear Users,
Please find below the input file that generated the above error.
I need your suggestion(s) on the possible problem(s)
Thanks
&CONTROL
??? calculation='scf'
??? restart_mode='from_scratch',
??? !pseudo_dir='directory where pseudopotentials are stored/',
??? !outdir='directory where large files are written/'
??? tstress = .true.
??? tprnfor = .true.
??? pseudo_dir='/home/okoye/espresso-5.0.2/pseudo',
??? outdir='./tmp'
??? prefix='w',
?/
?&SYSTEM???
??? ibrav=3,
??? celldm(1)=5.9806,
??? nat=1,
??? ntyp=1,
??? occupations='smearing',
??? degauss=0.02,
??? smearing='mp',
??? ecutwfc = 8,
??? ecutrho = 10*ecutwfc
?/
?&ELECTRONS
??? diagonalization = 'david',
??? mixing_mode = 'plain',
??? conv_thr =? 1.0d-8,
??? mixing_beta = 0.7,
?/
ATOMIC_SPECIES
?W 183.85 W.pbe-nsp-van.UPF
ATOMIC_POSITIONS
?W 0.00 0.00 0.00
K_POINTS automatic
?12 12 12 1 1 1
Okoye
?
=========
Chukwuemeka M I Okoye
Department of Physics and Astronomy,
University of Nigeria,
Nsukka.
Enugu State,
NIGERIA.
Phone: +234-7038766990
+234-8053310658
E-mail: okoyecmi at yahoo.com, cmi.okoye at unn.edu.ng
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Message: 8
Date: Mon, 14 Oct 2013 15:23:17 +0200
From: Layla Martin-Samos <lmartinsamos at gmail.com>
Subject: Re: [Pw_forum] (no subject)
To: PWSCF Forum <pw_forum at pwscf.org>
Message-ID:
<CAGCSmJR=E9BxNxYo9AiNhjhk1Pae9JpV7a42BUUo9e=5nf1-kQ at mail.gmail.com>
Content-Type: text/plain; charset="utf-8"
Hi Anik, firts you have to equilibrate a liquid at a temperature high
enough (this depends on the fusion temp of your system, take 30% more). For
this you can use pwscf, with calculation_kind = "md", and set the time step
dt, the number of md steps nsteps, ion_dynamics (I usually use verlet), the
thermostat ion_temperature (usually a use rescaling), set the temperature
of equilibration tempw (for SiO2 I use 2000K) tolp (which is the tolerance
for temperature variation, usually I set 100K for high temperature
equilibration) . Then you can use the input variables of namelist IONS to
anneal since 300K or 0K. Refer to pwscf input parameters (
http://www.quantum-espresso.org/wp-content/uploads/Doc/INPUT_PW.html ) for
more details.
cheers
Layla
cheers
Layla
2013/10/14 Anik Shrivastava <anikshrivastava05 at gmail.com>
> Dear all
> can any one tell how can i anneal and quench a binary or ternary
> system e.g. Fe80B20 or Fe71B10Si19, i am asking about bulk metallic
> glass to get structural change information.
>
>
> Anik shrivastava
> Senior Research Fellow
> Naval Materials Research Lab,DRDO
> Mumbai-400085
> India
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum
>
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Message: 9
Date: Mon, 14 Oct 2013 15:37:22 +0200
From: stefano de gironcoli <degironc at sissa.it>
Subject: Re: [Pw_forum] Error in routine read_namelists (17): reading
namelist system
To: pw_forum at pwscf.org
Message-ID: <525BF392.6010803 at sissa.it>
Content-Type: text/plain; charset="iso-8859-1"
On 10/14/2013 03:08 PM, Chukwuemeka Okoye wrote:
>
> &SYSTEM
> ecutrho = 10*ecutwfc
> /
syntax not allowed.
stefano
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Message: 10
Date: Mon, 14 Oct 2013 15:45:47 +0200
From: Paolo Giannozzi <paolo.giannozzi at uniud.it>
Subject: Re: [Pw_forum] Error in routine read_namelists (17): reading
namelist system
To: Chukwuemeka Okoye <okoyecmi at yahoo.com>, PWSCF Forum
<pw_forum at pwscf.org>
Message-ID: <1381758347.4871.8.camel at pania.fastwebnet.it>
Content-Type: text/plain; charset="UTF-8"
On Mon, 2013-10-14 at 06:08 -0700, Chukwuemeka Okoye wrote:
> ecutrho = 10*ecutwfc
this syntax is not allowed in namelists
P.
--
Paolo Giannozzi, Dept. Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
------------------------------
Message: 11
Date: Mon, 14 Oct 2013 15:13:26 +0100 (BST)
From: Bertrand SITAMTZE <siyouber at yahoo.fr>
Subject: Re: [Pw_forum] Error in routine read_namelists (17): reading
namelist system
To: Chukwuemeka Okoye <okoyecmi at yahoo.com>, PWSCF Forum
<pw_forum at pwscf.org>
Message-ID:
<1381760006.22550.YahooMailNeo at web133203.mail.ir2.yahoo.com>
Content-Type: text/plain; charset="iso-8859-1"
Dear Okoye,
I think your problem is with 'ecutrho = 10*ecutwfc'
If you want 10*8, just write 'ecutrho =80'. By the way, check whether you need ecutrho > 4*ecutwfc or not!
Best,
******CURRENT ADDRESS
B. SITAMTZE YOUMBI
IMMM, Universit? du Maine
Le Mans, France
T?l: +33 6 67 61 52 15
****************************************
________________________________
De?: Chukwuemeka Okoye <okoyecmi at yahoo.com>
??: "pw_forum at pwscf.org" <pw_forum at pwscf.org>
Envoy? le : Lundi 14 octobre 2013 15h08
Objet?: [Pw_forum] Error in routine read_namelists (17): reading namelist system
Dear Users,
Please find below the input file that generated the above error.
I need your suggestion(s) on the possible problem(s)
Thanks
&CONTROL
??? calculation='scf'
??? restart_mode='from_scratch',
??? !pseudo_dir='directory where pseudopotentials
are stored/',
??? !outdir='directory where large files are written/'
??? tstress = .true.
??? tprnfor = .true.
??? pseudo_dir='/home/okoye/espresso-5.0.2/pseudo',
??? outdir='./tmp'
??? prefix='w',
?/
?&SYSTEM???
??? ibrav=3,
??? celldm(1)=5.9806,
??? nat=1,
??? ntyp=1,
??? occupations='smearing',
??? degauss=0.02,
??? smearing='mp',
??? ecutwfc = 8,
??? ecutrho = 10*ecutwfc
?/
?&ELECTRONS
??? diagonalization = 'david',
??? mixing_mode = 'plain',
??? conv_thr =? 1.0d-8,
??? mixing_beta = 0.7,
?/
ATOMIC_SPECIES
?W 183.85
W.pbe-nsp-van.UPF
ATOMIC_POSITIONS
?W 0.00 0.00 0.00
K_POINTS automatic
?12 12 12 1 1 1
Okoye
?
=========
Chukwuemeka M I Okoye
Department of Physics and Astronomy,
University of Nigeria,
Nsukka.
Enugu State,
NIGERIA.
Phone: +234-7038766990
+234-8053310658
E-mail: okoyecmi at yahoo.com, cmi.okoye at unn.edu.ng
_______________________________________________
Pw_forum mailing list
Pw_forum at pwscf.org
http://pwscf.org/mailman/listinfo/pw_forum
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Message: 12
Date: Tue, 15 Oct 2013 00:26:06 +0800 (SGT)
From: Sohail Ahmad <sohailphysics at yahoo.co.in>
Subject: [Pw_forum] uniaxial strain on monolayer of transition metal
di chalcogenides
To: "pw_forum at pwscf.org" <pw_forum at pwscf.org>
Message-ID:
<1381767966.73132.YahooMailNeo at web190904.mail.sg3.yahoo.com>
Content-Type: text/plain; charset="iso-8859-1"
Dear QE users
I? am interested in studying different aspects of transition metal dichalcogenides. For that a band gap and DOS have been performed on bulk and monoloayers. To optimize the structure i fixed the volume and varied lattice a and c one by one
Now i wish to apply strain in one direction, what will i have to do to optimize the structure
I mean if some one could help me the step how to relax the structure
what are the possible changes in input parameter as compared to bulk or monolayer
Thanks
?Sohail
KKU
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Message: 13
Date: Tue, 15 Oct 2013 07:59:27 +0300
From: Elio Physics <elio-physics at live.com>
Subject: [Pw_forum] Error in ROUTINE BROYDEN (1)
To: "pw_forum at pwscf.org" <pw_forum at pwscf.org>
Message-ID: <SNT149-W32E4D2CC43DAE791022A64EA1B0 at phx.gbl>
Content-Type: text/plain; charset="iso-8859-1"
Dear All,
I am trying to do some electron phonon/ phonon calculations using QE ; Everything works pretty well and calculations proceed for a few phonons then the code stops with the following complaint:
"stopping ...
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine broyden (1): factorization %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%"
This is happening to all three systems I am working in (phonon calculations) . Please anyone can help how to surmount this problem.
Thanks
ElioUniversity of RondonioBrazil
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Message: 14
Date: Tue, 15 Oct 2013 14:07:19 +0800 (SGT)
From: lata pandit <lata_pandit24 at yahoo.com>
Subject: [Pw_forum] Mn psuedopotential
To: PWSCF Forum <pw_forum at pwscf.org>
Message-ID:
<1381817239.54121.YahooMailNeo at web193105.mail.sg3.yahoo.com>
Content-Type: text/plain; charset="iso-8859-1"
Dear users,
I tried to generate the PAW pseudopotential for Mn. Here i am attaching both input and output file.?I am successfully generated Mn psuedopotential,?but when i used this
psuedo to calculate the energy of bulk Mn in FCC structure, I found
following error in the output file.
Error in routine cdiaghg (16):
S matrix not positive definite
I don't understand why did it come. Kindly give any suggestion or comments.
???? This program is part of the open-source Quantum ESPRESSO suite
???? for quantum simulation of materials; please cite
???????? "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
????????? URL http://www.quantum-espresso.org",
???? in publications or presentations arising from this work. More details at
????
http://www.quantum-espresso.org/quote.php
???? Parallel version (MPI), running on??? 12 processors
???? R & G space division:? proc/nbgrp/npool/nimage =????? 12
???? Current dimensions of program PWSCF are:
???? Max number of different atomic species (ntypx) = 10
???? Max number of k-points (npk) =? 40000
???? Max angular momentum in pseudopotentials (lmaxx) =? 3
???? Waiting for input...
???? Reading input from standard input
?????????????? file Mn.pbe-paw_kj.UPF: wavefunction(s)? 4S renormalized
???? Subspace diagonalization in iterative solution of the eigenvalue problem:
???? a
serial algorithm will be used
???? Parallelization info
???? --------------------
???? sticks:?? dense? smooth???? PW???? G-vecs:??? dense?? smooth????? PW
???? Min????????? 18????? 18????? 6????????????????? 177????? 177????? 34
???? Max????????? 19????? 19????? 7????????????????? 179?????
179????? 35
???? Sum???????? 223???? 223???? 73???????????????? 2133???? 2133???? 411
???? bravais-lattice index???? =??????????? 2
???? lattice parameter (alat)? =?????? 6.7997? a.u.
???? unit-cell volume????????? =????? 78.5966 (a.u.)^3
???? number of atoms/cell????? =??????????? 1
???? number of atomic
types??? =??????????? 1
???? number of electrons?????? =???????? 7.00
???? number of Kohn-Sham states=??????????? 8
???? kinetic-energy cutoff???? =????? 35.0000? Ry
???? charge density cutoff???? =???? 140.0000? Ry
???? convergence threshold???? =????? 1.0E-08
???? mixing beta?????????????? =?????? 0.2000
???? number of iterations used
=??????????? 8? plain???? mixing
???? Exchange-correlation????? =? SLA? PW?? PBX? PBC ( 1 4 3 4 0)
???? EXX-fraction????????????? =??????? 0.00
???? celldm(1)=?? 6.799672? celldm(2)=?? 0.000000? celldm(3)=?? 0.000000
???? celldm(4)=?? 0.000000? celldm(5)=?? 0.000000? celldm(6)=?? 0.000000
? atomic species?? valence??? mass???? pseudopotential
??????? Mn???????????? 7.00??? 54.93800???? Mn( 1.00)
???? 48 Sym. Ops., with inversion, found
?? Cartesian axes
???? site n.???? atom????????????????? positions (alat units)
???????? 1?????????? Mn? tau(?? 1) = (?? 0.0000000?? 0.0000000?? 0.0000000? )
???? number of k points=???? 2? Fermi-Dirac smearing, width (Ry)=? 0.0200
?????????????????????? cart. coord. in units 2pi/alat
??????? k(??? 1) = (? -0.2500000?? 0.2500000?? 0.2500000), wk =?? 0.5000000
??????? k(??? 2) = (?? 0.2500000? -0.2500000?? 0.7500000), wk =?? 1.5000000
???? Dense? grid:???? 2133 G-vectors???? FFT dimensions: (? 20,? 20,? 20)
???? Largest allocated arrays???? est. size (Mb)???? dimensions
??????? Kohn-Sham Wavefunctions???????? 0.00 Mb???? (???? 20,??? 8)
??????? NL pseudopotentials???????????? 0.00 Mb???? (???? 20,??? 6)
??????? Each V/rho on FFT grid????????? 0.01 Mb???? (??? 800)
??????? Each G-vector array???????????? 0.00 Mb???? (??? 178)
??????? G-vector shells???????????????? 0.00 Mb???? (???? 51)
???? Largest temporary arrays???? est. size (Mb)???? dimensions
??????? Each subspace H/S matrix??????? 0.00 Mb???? (?? 8,?? 8)
??????? Each <psi_i|beta_j> matrix????? 0.00 Mb???? (????? 6,??? 8)
??????? Arrays for rho mixing?????????? 0.10 Mb???? (??? 800,?? 8)
???? Initial potential from superposition of free atoms
???? starting charge??? 6.99950, renormalised to??? 7.00000
???? Starting wfc are??? 9 randomized atomic wfcs
?%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
???? Error in routine cdiaghg (16):
???? S matrix not positive definite
?%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
???? stopping ...
Thanking You
................................................................
Premlata Pandit
Post Doctoral Fellow
IISER Bhopal?
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------------------------------
Message: 15
Date: Tue, 15 Oct 2013 10:37:33 +0200
From: Emine Kucukbenli <kucukben at sissa.it>
Subject: Re: [Pw_forum] Mn psuedopotential
To: lata pandit <lata_pandit24 at yahoo.com>, PWSCF Forum
<pw_forum at pwscf.org>
Message-ID:
<20131015103733.Horde.ZVtfGh8V4mxSXP7Nky_URUA at webmail.sissa.it>
Content-Type: text/plain; charset=ISO-8859-1; format=flowed; DelSp=Yes
To start with, you have only one projector per angular momentum
channel in this paw pseudopotential.
Is this really what you want?
4S 1 0 2.00 0.00 2.50 2.60 0.00
3D 3 2 5.00 0.00 1.80 2.60 0.00
4P 2 1 0.00 0.00 2.60 2.60 0.00
Here are some very good reads on the topic:
?Projector augmented-wave method?, P. E. Bl?chl, Phys. Rev. B. 50,
17953 (1994)
From ultrasoft pseudopotentials to the projector augmented-wave
method, Kresse & Joubert, Phys. Rev. B 59, 1758?1775 (1999)
Prof. Blochl's slides
http://online.kitp.ucsb.edu/online/cem02/bloechl/pdf/Bloechl.pdf
best,
emine kucukbenli, postdoc at theos, epfl, switzerland
------------------------------
Message: 16
Date: Tue, 15 Oct 2013 01:45:11 -0700 (PDT)
From: Jeffrey De Lile <jeff2007_delile at yahoo.com>
Subject: [Pw_forum] PWgui-5.0.2 error
To: "pw_forum at pwscf.org" <pw_forum at pwscf.org>
Message-ID:
<1381826711.5613.YahooMailNeo at web140702.mail.bf1.yahoo.com>
Content-Type: text/plain; charset="iso-8859-1"
Dear PWgui users and developers,
I am using Ubuntu 12.04lts version and try to launch PWgui after installation, however, there is this error appear while launching;
vampire at vampire-HP-ProBook-4530s:~/tools/PWgui-5.0.2$ ./pwgui
?==================================================
? This is PWgui version:
?--------------------------------------------------
?PWgui: using the "/home/vampire/tools/PWgui-5.0.2/bin/itkwish" interpreter
./pwgui: 74: ./pwgui: /home/vampire/tools/PWgui-5.0.2/bin/itkwish: not found
Please inform me how to solve this problem. Do I have to reinstall it? or can I find itkwish?
Thanks in advance.
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Message: 17
Date: Tue, 15 Oct 2013 11:08:13 +0200
From: Tone Kokalj <tone.kokalj at ijs.si>
Subject: Re: [Pw_forum] PWgui-5.0.2 error
To: pw_forum at pwscf.org
Message-ID: <1381828093.10039.8.camel at catalyst.ijs.si>
Content-Type: text/plain; charset="UTF-8"
On Tue, 2013-10-15 at 01:45 -0700, Jeffrey De Lile wrote:
> Dear PWgui users and developers,
>
>
> I am using Ubuntu 12.04lts version and try to launch PWgui after
> installation, however, there is this error appear while launching;
> vampire at vampire-HP-ProBook-4530s:~/tools/PWgui-5.0.2$ ./pwgui
>
> ==================================================
> This is PWgui version:
> --------------------------------------------------
>
>
> PWgui: using the "/home/vampire/tools/PWgui-5.0.2/bin/itkwish"
> interpreter
>
> ./pwgui: 74: ./pwgui: /home/vampire/tools/PWgui-5.0.2/bin/itkwish: not
> found
I do not completely understand how you ended up with this error, because
there should be no bin/ subdirectory under PWgui-5.0.2.
Anyway the following may fix the problem:
sudo apt-get install itk3
Regards,
--
Anton Kokalj
J. Stefan Institute, Jamova 39, 1000 Ljubljana, Slovenia
(tel: +386-1-477-3523 // fax:+386-1-477-3822)
Please, if possible, avoid sending me Word or PowerPoint attachments.
See: http://www.gnu.org/philosophy/no-word-attachments.html
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