Hello Dear,

yes it worked. If we don't have a good symmetry in the Hamiltonian for example anisotropic spin chain in transversed magnetic field, we don't know easily, in what sector ground state and first exited stated lie ? in this case  is it true that I trust to the results which have given with setting just NUM_EIGENVALUES=2 in parm file?

Thank you very much,
Zhian.

On Tue, Mar 24, 2009 at 2:30 PM, <comp-phys-alps-users-request@phys.ethz.ch> wrote:
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Today's Topics:

  1. dynamical correlation functions (jessica.alfonsi@unipd.it)
  2. Energy Gap (zhian asadzadeh)
  3. Re: Energy Gap (Adrian E. Feiguin)
  4. uniform magnetic susceptibility (Guilin Zhuang)


----------------------------------------------------------------------

Message: 1
Date: Mon, 23 Mar 2009 12:48:14 +0100 (CET)
From: jessica.alfonsi@unipd.it
Subject: [ALPS-users] dynamical correlation functions
To: comp-phys-alps-users@phys.ethz.ch
Message-ID:
       <25a2823199cb7c2f2d21169a68d1a5b0.squirrel@webmail.unipd.it>
Content-Type: text/plain;charset=iso-8859-1

Hello everybody,
I'm interested in starting using ALPS project, in particular for computing
optical spectral functions starting from exact diagonalization and
dynamical correlation function for optical conductivity. However, I read
in papers about ALPS 1.3 release that these will be implemented in release
1.4 . When do you plan to release at least the first beta of ALPS 1.4 ? Is
it possible to use a patched SVN version ?

Thank you and best wishes

Jessica Alfonsi




------------------------------

Message: 2
Date: Tue, 24 Mar 2009 09:57:55 +0330
From: zhian asadzadeh <zhian.asadzadeh@gmail.com>
Subject: [ALPS-users] Energy Gap
To: comp-phys-alps-users@phys.ethz.ch
Message-ID:
       <89e5d6760903232327p5fe2f942x8fde9c344cceb0d2@mail.gmail.com>
Content-Type: text/plain; charset="iso-8859-1"

Hi Dear,

I tried to calculate energy gap for ferrimagnetic ladder. in this paper (
Phy Rev B, 63, 054432) it has been done which you can find in
table I. I used the periodic boundary condition because in the case of open
boundary condition the  energy converges very slowly.
I have achieved the following result.
E0= -0.757036
E1= -0.757032

I have used the following input file: I have tried for inter chain coupling
J' = 0.2 with the notation of this paper.

LATTICE="ferrimagnetic ladder"
SWEEPS=4
MAXSTATES=300
MODEL="spin", L=30
local_S0=1/2,local_S1=1,Jxy0=1,h=0.0,Jxy1=0.2,Jz1=0.2
BC1=periodic,BC2=periodic
NUMBER_EIGENVALUES=2
Jz0=1
{Gamma=0.0;}


which L is the number of unit cell and h, Gamma are longitudinal and
transverse magnetic field respectively. Jz0 , Jxy0 are chain couplings and
Jz1, and Jxy1 are inter chain couplings.
we see that the result is not concur with this paper for energy gap.
I see in this paper lanczos method is used but I expect that the result be
same in 4 digit.
please let me know what is wrong?

Thanks,
Mohammad.






On Wed, Mar 18, 2009 at 2:30 PM,
<comp-phys-alps-users-request@phys.ethz.ch>wrote:

> Send Comp-phys-alps-users mailing list submissions to
>        comp-phys-alps-users@phys.ethz.ch
>
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>        https://webmail.phys.ethz.ch/mailman/listinfo/comp-phys-alps-users
> or, via email, send a message with subject or body 'help' to
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>
> When replying, please edit your Subject line so it is more specific
> than "Re: Contents of Comp-phys-alps-users digest..."
>
>
> Today's Topics:
>
>   1. Energy Gap (zhian asadzadeh)
>   2. Re: Energy Gap (Matthias Troyer)
>
>
> ----------------------------------------------------------------------
>
> Message: 1
> Date: Tue, 17 Mar 2009 14:43:46 +0330
> From: zhian asadzadeh <zhian.asadzadeh@gmail.com>
> Subject: [ALPS-users] Energy Gap
> To: comp-phys-alps-users@phys.ethz.ch
> Message-ID:
>        <89e5d6760903170413w7e72ef85i873b8d47564f4320@mail.gmail.com>
> Content-Type: text/plain; charset="iso-8859-1"
>
> Hi Dear,
>
> Thank you for your consideration.
> My model is anisotropic Ferrimagnetic chain in transverse magnetic field.
> when I say the result is wrong I mean when I have tried to obtain energy
> gap
> for some problems and models which have been solved earlier I saw  the
> result doesn't agree with those earlier results. for example spin one and
> half-one chain and ferrimagnetic chain and  anisotropic ferrimagnetic
> ladder.
> Something is not very obvius for me, how DMRG calculate ground state and
> first exited state from one wave function ?!
>
> Thanks,
> Zhian.
>
>
> On Tue, Mar 17, 2009 at 2:30 PM,
> <comp-phys-alps-users-request@phys.ethz.ch>wrote:
>
> > Send Comp-phys-alps-users mailing list submissions to
> >        comp-phys-alps-users@phys.ethz.ch
> >
> > To subscribe or unsubscribe via the World Wide Web, visit
> >
> https://webmail.phys.ethz.ch/mailman/listinfo/comp-phys-alps-users
> > or, via email, send a message with subject or body 'help' to
> >        comp-phys-alps-users-request@phys.ethz.ch
> >
> > You can reach the person managing the list at
> >        comp-phys-alps-users-owner@phys.ethz.ch
> >
> > When replying, please edit your Subject line so it is more specific
> > than "Re: Contents of Comp-phys-alps-users digest..."
> >
> >
> > Today's Topics:
> >
> >   1. Re: Energy Gap (Matthias Troyer)
> >
> >
> > ----------------------------------------------------------------------
> >
> > Message: 1
> > Date: Mon, 16 Mar 2009 12:33:11 -0700
> > From: Matthias Troyer <troyer@phys.ethz.ch>
> > Subject: Re: [ALPS-users] Energy Gap
> > To: comp-phys-alps-users@phys.ethz.ch
> > Message-ID: <43E825E5-7BE3-4EA0-9C2A-20A1FC8C21AF@phys.ethz.ch>
> > Content-Type: text/plain; charset=US-ASCII; format=flowed; delsp=yes
> >
> >
> > On Mar 16, 2009, at 2:01 AM, zhian asadzadeh wrote:
> >
> > > Hi All,
> > >
> > > I want to calculate energy gap for spin chain with DMRG. I set
> > > NUM_EIGENVALUES=2 in my parm file but the result which  achieved is
> > > wrong.
> > > Is it necessary to determine something else for example the sector
> > > which DMRG work in it? in my problem I dont have any good symmetry
> > > and I can not easily determine the sector which the first exited
> > > state is in it. I would be very appreciate if someone could please
> > > help me.
> > >
> > > Thanks,
> > > Zhian.
> >
> > Can you please send more details about your model, or better yet the
> > input file? An what do you mean exactly by saying that the result is
> > wrong?
> >
> > Matthias
> >
> >
> >
> > End of Comp-phys-alps-users Digest, Vol 36, Issue 10
> > ****************************************************
> >
> -------------- next part --------------
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> https://webmail.phys.ethz.ch/pipermail/comp-phys-alps-users/attachments/20090317/3cf900e2/attachment.html
>
> ------------------------------
>
> Message: 2
> Date: Tue, 17 Mar 2009 07:53:06 -0700
> From: Matthias Troyer <troyer@phys.ethz.ch>
> Subject: Re: [ALPS-users] Energy Gap
> To: comp-phys-alps-users@phys.ethz.ch,  zhian asadzadeh
>        <zhian.asadzadeh@gmail.com>
> Message-ID: <DD6B5BF6-728F-4B6C-8319-5976A9DE8B84@phys.ethz.ch>
> Content-Type: text/plain; charset=US-ASCII; format=flowed; delsp=yes
>
> Can you be more concrete please otherwise we cannot help:
>
> - what are the inputs you use (we need the complete input files!)
> - what is the number you compare to (again we need the exact reference
> and number)
>
> Matthias
>
> On 17 Mar 2009, at 04:13, zhian asadzadeh wrote:
>
> > Hi Dear,
> >
> > Thank you for your consideration.
> > My model is anisotropic Ferrimagnetic chain in transverse magnetic
> > field. when I say the result is wrong I mean when I have tried to
> > obtain energy gap for some problems and models which have been
> > solved earlier I saw  the result doesn't agree with those earlier
> > results. for example spin one and half-one chain and ferrimagnetic
> > chain and  anisotropic ferrimagnetic ladder.
> > Something is not very obvius for me, how DMRG calculate ground state
> > and first exited state from one wave function ?!
> >
> > Thanks,
> > Zhian.
> >
> > On Mar 16, 2009, at 2:01 AM, zhian asadzadeh wrote:
> >
> > > Hi All,
> > >
> > > I want to calculate energy gap for spin chain with DMRG. I set
> > > NUM_EIGENVALUES=2 in my parm file but the result which  achieved is
> > > wrong.
> > > Is it necessary to determine something else for example the sector
> > > which DMRG work in it? in my problem I dont have any good symmetry
> > > and I can not easily determine the sector which the first exited
> > > state is in it. I would be very appreciate if someone could please
> > > help me.
> > >
> > > Thanks,
> > > Zhian.
> >
> > Can you please send more details about your model, or better yet the
> > input file? An what do you mean exactly by saying that the result is
> > wrong?
> >
> > Matthias
> >
> >
> >
> > End of Comp-phys-alps-users Digest, Vol 36, Issue 10
> > ****************************************************
> >
>
>
>
> End of Comp-phys-alps-users Digest, Vol 36, Issue 11
> ****************************************************
>
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------------------------------

Message: 3
Date: Tue, 24 Mar 2009 00:04:03 -0700
From: "Adrian E. Feiguin" <afeiguin@kitp.ucsb.edu>
Subject: Re: [ALPS-users] Energy Gap
To: comp-phys-alps-users@phys.ethz.ch
Message-ID: <49C885E3.7060804@kitp.ucsb.edu>
Content-Type: text/plain; charset=ISO-8859-1; format=flowed

Dear Mohammad,

The energy you've got looks pretty good to me. In that paper they report
-0.7569, and you probably studied larger system sizes.(maybe?)
Anyway, you may know already that the ferrimagnetic system you are
studying has a degenrate ground state: it's a multiplet with total spin
Stot=L(S1-S2), where S=1 and S2=1/2 in this case, as clearly explained
in this paper. This explains why you've got essentially the same
energies. To get the gap you need to calculate E(Stot+1), or set
Sz_tot=L(S1-S2)+1

I hope this helps (and works...)
Saludos,
<ADRIAN>



zhian asadzadeh wrote:
> Hi Dear,
>
> I tried to calculate energy gap for ferrimagnetic ladder. in this
> paper ( Phy Rev B, 63, 054432) it has been done which you can find in
> table I. I used the periodic boundary condition because in the case of
> open boundary condition the  energy converges very slowly.
> I have achieved the following result.
> E0= -0.757036
> E1= -0.757032
>
> I have used the following input file: I have tried for inter chain
> coupling J' = 0.2 with the notation of this paper.
>
> LATTICE="ferrimagnetic ladder"
> SWEEPS=4
> MAXSTATES=300
> MODEL="spin", L=30
> local_S0=1/2,local_S1=1,Jxy0=1,h=0.0,Jxy1=0.2,Jz1=0.2
> BC1=periodic,BC2=periodic
> NUMBER_EIGENVALUES=2
> Jz0=1
> {Gamma=0.0;}
>
>
> which L is the number of unit cell and h, Gamma are longitudinal and
> transverse magnetic field respectively. Jz0 , Jxy0 are chain couplings
> and Jz1, and Jxy1 are inter chain couplings.
> we see that the result is not concur with this paper for energy gap.
> I see in this paper lanczos method is used but I expect that the
> result be same in 4 digit.
> please let me know what is wrong?
>
> Thanks,
> Mohammad.
>
>
>
>
>
>
> On Wed, Mar 18, 2009 at 2:30 PM,
> <comp-phys-alps-users-request@phys.ethz.ch
> <mailto:comp-phys-alps-users-request@phys.ethz.ch>> wrote:
>
>     Send Comp-phys-alps-users mailing list submissions to
>            comp-phys-alps-users@phys.ethz.ch
>     <mailto:comp-phys-alps-users@phys.ethz.ch>
>
>     To subscribe or unsubscribe via the World Wide Web, visit
>
>      https://webmail.phys.ethz.ch/mailman/listinfo/comp-phys-alps-users
>     or, via email, send a message with subject or body 'help' to
>            comp-phys-alps-users-request@phys.ethz.ch
>     <mailto:comp-phys-alps-users-request@phys.ethz.ch>
>
>     You can reach the person managing the list at
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>     <mailto:comp-phys-alps-users-owner@phys.ethz.ch>
>
>     When replying, please edit your Subject line so it is more specific
>     than "Re: Contents of Comp-phys-alps-users digest..."
>
>
>     Today's Topics:
>
>       1. Energy Gap (zhian asadzadeh)
>       2. Re: Energy Gap (Matthias Troyer)
>
>
>     ----------------------------------------------------------------------
>
>     Message: 1
>     Date: Tue, 17 Mar 2009 14:43:46 +0330
>     From: zhian asadzadeh <zhian.asadzadeh@gmail.com
>     <mailto:zhian.asadzadeh@gmail.com>>
>     Subject: [ALPS-users] Energy Gap
>     To: comp-phys-alps-users@phys.ethz.ch
>     <mailto:comp-phys-alps-users@phys.ethz.ch>
>     Message-ID:
>
>      <89e5d6760903170413w7e72ef85i873b8d47564f4320@mail.gmail.com
>     <mailto:89e5d6760903170413w7e72ef85i873b8d47564f4320@mail.gmail.com>>
>     Content-Type: text/plain; charset="iso-8859-1"
>
>     Hi Dear,
>
>     Thank you for your consideration.
>     My model is anisotropic Ferrimagnetic chain in transverse magnetic
>     field.
>     when I say the result is wrong I mean when I have tried to obtain
>     energy gap
>     for some problems and models which have been solved earlier I saw  the
>     result doesn't agree with those earlier results. for example spin
>     one and
>     half-one chain and ferrimagnetic chain and  anisotropic ferrimagnetic
>     ladder.
>     Something is not very obvius for me, how DMRG calculate ground
>     state and
>     first exited state from one wave function ?!
>
>     Thanks,
>     Zhian.
>
>
>     On Tue, Mar 17, 2009 at 2:30 PM,
>     <comp-phys-alps-users-request@phys.ethz.ch
>     <mailto:comp-phys-alps-users-request@phys.ethz.ch>>wrote:
>
>     > Send Comp-phys-alps-users mailing list submissions to
>     >        comp-phys-alps-users@phys.ethz.ch
>     <mailto:comp-phys-alps-users@phys.ethz.ch>
>     >
>     > To subscribe or unsubscribe via the World Wide Web, visit
>     >
>      https://webmail.phys.ethz.ch/mailman/listinfo/comp-phys-alps-users
>     > or, via email, send a message with subject or body 'help' to
>     >        comp-phys-alps-users-request@phys.ethz.ch
>     <mailto:comp-phys-alps-users-request@phys.ethz.ch>
>     >
>     > You can reach the person managing the list at
>     >        comp-phys-alps-users-owner@phys.ethz.ch
>     <mailto:comp-phys-alps-users-owner@phys.ethz.ch>
>     >
>     > When replying, please edit your Subject line so it is more specific
>     > than "Re: Contents of Comp-phys-alps-users digest..."
>     >
>     >
>     > Today's Topics:
>     >
>     >   1. Re: Energy Gap (Matthias Troyer)
>     >
>     >
>     >
>     ----------------------------------------------------------------------
>     >
>     > Message: 1
>     > Date: Mon, 16 Mar 2009 12:33:11 -0700
>     > From: Matthias Troyer <troyer@phys.ethz.ch
>     <mailto:troyer@phys.ethz.ch>>
>     > Subject: Re: [ALPS-users] Energy Gap
>     > To: comp-phys-alps-users@phys.ethz.ch
>     <mailto:comp-phys-alps-users@phys.ethz.ch>
>     > Message-ID: <43E825E5-7BE3-4EA0-9C2A-20A1FC8C21AF@phys.ethz.ch
>     <mailto:43E825E5-7BE3-4EA0-9C2A-20A1FC8C21AF@phys.ethz.ch>>
>     > Content-Type: text/plain; charset=US-ASCII; format=flowed; delsp=yes
>     >
>     >
>     > On Mar 16, 2009, at 2:01 AM, zhian asadzadeh wrote:
>     >
>     > > Hi All,
>     > >
>     > > I want to calculate energy gap for spin chain with DMRG. I set
>     > > NUM_EIGENVALUES=2 in my parm file but the result which
>      achieved is
>     > > wrong.
>     > > Is it necessary to determine something else for example the sector
>     > > which DMRG work in it? in my problem I dont have any good symmetry
>     > > and I can not easily determine the sector which the first exited
>     > > state is in it. I would be very appreciate if someone could please
>     > > help me.
>     > >
>     > > Thanks,
>     > > Zhian.
>     >
>     > Can you please send more details about your model, or better yet the
>     > input file? An what do you mean exactly by saying that the result is
>     > wrong?
>     >
>     > Matthias
>     >
>     >
>     >
>     > End of Comp-phys-alps-users Digest, Vol 36, Issue 10
>     > ****************************************************
>     >
>     -------------- next part --------------
>     An HTML attachment was scrubbed...
>     URL:
>     https://webmail.phys.ethz.ch/pipermail/comp-phys-alps-users/attachments/20090317/3cf900e2/attachment.html
>
>     ------------------------------
>
>     Message: 2
>     Date: Tue, 17 Mar 2009 07:53:06 -0700
>     From: Matthias Troyer <troyer@phys.ethz.ch
>     <mailto:troyer@phys.ethz.ch>>
>     Subject: Re: [ALPS-users] Energy Gap
>     To: comp-phys-alps-users@phys.ethz.ch
>     <mailto:comp-phys-alps-users@phys.ethz.ch>,  zhian asadzadeh
>            <zhian.asadzadeh@gmail.com <mailto:zhian.asadzadeh@gmail.com>>
>     Message-ID: <DD6B5BF6-728F-4B6C-8319-5976A9DE8B84@phys.ethz.ch
>     <mailto:DD6B5BF6-728F-4B6C-8319-5976A9DE8B84@phys.ethz.ch>>
>     Content-Type: text/plain; charset=US-ASCII; format=flowed; delsp=yes
>
>     Can you be more concrete please otherwise we cannot help:
>
>     - what are the inputs you use (we need the complete input files!)
>     - what is the number you compare to (again we need the exact reference
>     and number)
>
>     Matthias
>
>     On 17 Mar 2009, at 04:13, zhian asadzadeh wrote:
>
>     > Hi Dear,
>     >
>     > Thank you for your consideration.
>     > My model is anisotropic Ferrimagnetic chain in transverse magnetic
>     > field. when I say the result is wrong I mean when I have tried to
>     > obtain energy gap for some problems and models which have been
>     > solved earlier I saw  the result doesn't agree with those earlier
>     > results. for example spin one and half-one chain and ferrimagnetic
>     > chain and  anisotropic ferrimagnetic ladder.
>     > Something is not very obvius for me, how DMRG calculate ground state
>     > and first exited state from one wave function ?!
>     >
>     > Thanks,
>     > Zhian.
>     >
>     > On Mar 16, 2009, at 2:01 AM, zhian asadzadeh wrote:
>     >
>     > > Hi All,
>     > >
>     > > I want to calculate energy gap for spin chain with DMRG. I set
>     > > NUM_EIGENVALUES=2 in my parm file but the result which
>      achieved is
>     > > wrong.
>     > > Is it necessary to determine something else for example the sector
>     > > which DMRG work in it? in my problem I dont have any good symmetry
>     > > and I can not easily determine the sector which the first exited
>     > > state is in it. I would be very appreciate if someone could please
>     > > help me.
>     > >
>     > > Thanks,
>     > > Zhian.
>     >
>     > Can you please send more details about your model, or better yet the
>     > input file? An what do you mean exactly by saying that the result is
>     > wrong?
>     >
>     > Matthias
>     >
>     >
>     >
>     > End of Comp-phys-alps-users Digest, Vol 36, Issue 10
>     > ****************************************************
>     >
>
>
>
>     End of Comp-phys-alps-users Digest, Vol 36, Issue 11
>     ****************************************************
>
>



------------------------------

Message: 4
Date: Tue, 24 Mar 2009 15:31:46 +0800 (CST)
From: "Guilin Zhuang" <glzhuang0119@163.com>
Subject: [ALPS-users] uniform magnetic susceptibility
To: "comp-phys-alps-users@phys.ethz.ch"
       <comp-phys-alps-users@phys.ethz.ch>
Message-ID:
       <21070621.738091237879906061.JavaMail.coremail@bj163app93.163.com>
Content-Type: text/plain; charset="gbk"

Dear All prof.
 As for chemistry major, the QMC and magnetic knowledge is not enough for me ! Here I ask the same question again!
 In the simulation of SSE by the version 1.2.2 of ALPS, I have to know the conversion factor between the molar magnetic susceptibility and uniform magnetic susceptibility. I produce the following equation between them.
   If the dimension for couple parameter J is cm-1, and conversion equation:
   chi_mol=Na * mu_b * g * chi_sse
          The unit of chi_mol: cm3*mol-1, the unit of chi_sse: cm.
   Na: Avogadro constant, 6.022*10^23 mol-1
   mu_b: Bohr magneton,   9.274*10^(-21) emu(A)*cm^2
   g: Lange factor

   Is it right? If not,what is it?
   I really hope you to help me! Thank you a lot!


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****************************************************