Dear Dr. Matteo,<div><br></div><div>Yes, I ran the LSDA+U example successfully, the only difference is that the U of Ni converged to 6.0 not 5.0. </div><div><br></div><div>For my calculation, if I use n1=n2=n3=2, the result is</div>
<div>208 NaN 6.899999999999315E-003 2.066666666665403E-003.</div><div>If n1=n2=n3=3, the size of Umat.out will continue to increase > 2G. And I have to stop it before the space is used up. </div><div><br></div><div>The
potential and wfcs are saved and I used ecutwfc=100 to make the scf energy converged to 0.001Ry. I can decrease it if that will help to get correct U.</div><div><br><div class="gmail_quote">On Sun, Jul 29, 2012 at 1:17 PM, Matteo Cococcioni <span dir="ltr"><<a href="mailto:matteo@umn.edu" target="_blank">matteo@umn.edu</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">Dear Peng,<br>
<br>
I advise you to run the example available from the QE webpage and try<br>
to reproduce the same results.<br>
<div class="im"><br>
On Sun, Jul 29, 2012 at 12:00 PM, Peng Chen <<a href="mailto:pchen@ion.chem.utk.edu">pchen@ion.chem.utk.edu</a>> wrote:<br>
> Dear Dr. Matteo,<br>
><br>
</div><div class="im">> I compiled the code with the parameters in make.sys. The n1=n2=n3=1 case is<br>
> done without error, but the results for Ni and O are negative which should<br>
> not be correct.<br>
<br>
<br>
</div>ok then maybe you can try to increase them one per time and see at<br>
what level the code stops with error?<br>
<div class="im"><br>
<br>
> 26 -14.8678837915617 7.56505581785392 -0.681000339374195<br>
> I plot dn.1.da.1.dat and dn0.1.da.1.dat, the data in dn0.1.da.1.dat are not<br>
> linear.<br>
<br>
<br>
</div>this is not related to the error message of r.x but is not right. if<br>
you want reliable results you have to get these plots linear.<br>
<div class="im"><br>
<br>
<br>
The scf calculation is converged to 0.001 Ry. So I am not sure what<br>
> can cause the problem.<br>
<br>
<br>
</div>yes probably this is not enough. the inputs look fine (I haven't<br>
looked inside the response matrix) but you have to make sure the scf<br>
potential and wfc are saved after the unperturbed scf run and every<br>
perturbed calculation starts from them.<br>
do you really need 100 Ry cut off with US PP?<br>
<span class="HOEnZb"><font color="#888888"><br>
Matteo<br>
</font></span><div class="HOEnZb"><div class="h5"><br>
<br>
><br>
> I've attached the Umat_afm.1.out which may contain some useful information<br>
> for you. I also put below the input for scf and perturbation on Ni<br>
> (alpha=-0.15,-0.07,0.0,0.07,0.15). Same calculations are done for V and O as<br>
> well with perturbed V or O atom translated to the origin of the unit cell.<br>
><br>
><br>
> scf calculation input:<br>
><br>
> &control<br>
> calculation='scf'<br>
> restart_mode='from_scratch',<br>
> prefix='<a href="http://nvoprim.afm.ucalc.Ni" target="_blank">nvoprim.afm.ucalc.Ni</a>',<br>
> pseudo_dir = '/home/pchen/espresso-5.0/pseudo/',<br>
> outdir='/data/pchen/qe/'<br>
> wf_collect=.TRUE.<br>
> /<br>
> &system<br>
> ibrav=0, celldm(1)=11.19096,<br>
> nat=26, ntyp=6,<br>
> nspin = 2, starting_magnetization(1)=0.6,<br>
> starting_magnetization(2)=-0.6, starting_magnetization(3)=0.5,<br>
> starting_magnetization(4)=-0.5,<br>
> ecutwfc = 100, ecutrho = 800,<br>
> occupations ='smearing',<br>
> smearing ='mv',<br>
> degauss = 0.005,nbnd=135<br>
> lda_plus_u = .true.<br>
> Hubbard_U(1)= 1.d-20<br>
> Hubbard_U(2)= 1.d-20<br>
> Hubbard_U(3)= 1.d-20<br>
> Hubbard_U(4)= 1.d-20<br>
> Hubbard_U(5)= 1.d-20<br>
> Hubbard_U(6)= 1.d-20<br>
> /<br>
> &electrons<br>
> conv_thr = 1.0e-7<br>
> mixing_beta = 0.3<br>
> /<br>
> CELL_PARAMETERS<br>
> 0.5 0.96015 0<br>
> 0.5 -0.96015 0<br>
> 0 0 1.38889<br>
> ATOMIC_SPECIES<br>
> Ni1 58.6934 Ni.pz-n-rrkjus.UPF<br>
> Ni2 58.6934 Ni.pz-n-rrkjus.UPF<br>
> Ni3 58.6934 Ni.pz-n-rrkjus.UPF<br>
> Ni4 58.6934 Ni.pz-n-rrkjus.UPF<br>
> V 50.9415 V.pz-spn-rrkjus.UPF<br>
> O 15.9994 O.pz-n-rrkjus.UPF<br>
> ATOMIC_POSITIONS crystal<br>
> Ni1 0.000000000 0.000000000 0.000000000<br>
> Ni2 0.500000000 0.500000000 0.500000000<br>
> Ni3 0.122863290 0.378190177 0.749934361<br>
> Ni3 0.877136710 0.621809823 0.250065639<br>
> Ni4 0.377137388 0.121809201 0.249932658<br>
> Ni4 0.622862612 0.878190799 0.750067342<br>
> V 0.373618754 0.623612138 0.115867980<br>
> V 0.126381501 0.876388862 0.615868582<br>
> V 0.626381246 0.376387862 0.884132020<br>
> V 0.873618499 0.123611138 0.384131418<br>
> O 0.241839036 0.756304999 0.223613779<br>
> O 0.258160617 0.743693910 0.723611944<br>
> O 0.758160964 0.243695001 0.776386221<br>
> O 0.741839383 0.256306090 0.276388056<br>
> O -0.000998332 1.000227439 0.243205274<br>
> O 0.500997862 0.499772508 0.743208489<br>
> O 1.000998332 -0.000227439 0.756794726<br>
> O 0.499002138 0.500227492 0.256791511<br>
> O 0.381099639 0.150692971 0.006796703<br>
> O 0.118898786 0.349304325 0.506798051<br>
> O 0.149581603 0.378555571 0.991989919<br>
> O 0.350419534 0.121445697 0.491991443<br>
> O 0.618900361 0.849307029 0.993205297<br>
> O 0.881101214 0.650695675 0.493203949<br>
> O 0.850418397 0.621444429 0.008012081<br>
> O 0.649580466 0.878554303 0.508010557<br>
><br>
> K_POINTS (automatic)<br>
> 5 5 5 1 1 1<br>
><br>
> Perturbation on Ni with alpha=0.15 input:<br>
><br>
> &control<br>
> calculation='scf'<br>
> restart_mode='from_scratch',<br>
> prefix='<a href="http://nvoprim.afm.ucalc.Ni" target="_blank">nvoprim.afm.ucalc.Ni</a>',<br>
> pseudo_dir = '/home/pchen/espresso-5.0/pseudo/',<br>
> outdir='/data/pchen/qe/'<br>
> wf_collect=.TRUE.<br>
> /<br>
> &system<br>
> ibrav=0, celldm(1)=11.19096,<br>
> nat=26, ntyp=6,<br>
> nspin = 2, starting_magnetization(1)=0.6,<br>
> starting_magnetization(2)=-0.6, starting_magnetization(3)=0.5,<br>
> starting_magnetization(4)=-0.5,<br>
> ecutwfc = 100, ecutrho = 800,<br>
> occupations ='smearing',<br>
> smearing ='mv',<br>
> degauss = 0.005,nbnd=135<br>
> lda_plus_u = .true.<br>
> Hubbard_U(1)= 1.d-20<br>
> Hubbard_U(2)= 1.d-20<br>
> Hubbard_U(3)= 1.d-20<br>
> Hubbard_U(4)= 1.d-20<br>
> Hubbard_U(5)= 1.d-20<br>
> Hubbard_U(6)= 1.d-20<br>
><br>
> Hubbard_alpha(1)= 0.15<br>
> /<br>
> &electrons<br>
> conv_thr = 1.0e-7<br>
> mixing_beta = 0.3<br>
> startingpot='file'<br>
> startingwfc='file'<br>
> diago_thr_init=5.09E-11,<br>
> /<br>
> CELL_PARAMETERS<br>
> 0.5 0.96015 0<br>
> 0.5 -0.96015 0<br>
> 0 0 1.38889<br>
> ATOMIC_SPECIES<br>
> Ni1 58.6934 Ni.pz-n-rrkjus.UPF<br>
> Ni2 58.6934 Ni.pz-n-rrkjus.UPF<br>
> Ni3 58.6934 Ni.pz-n-rrkjus.UPF<br>
> Ni4 58.6934 Ni.pz-n-rrkjus.UPF<br>
> V 50.9415 V.pz-spn-rrkjus.UPF<br>
> O 15.9994 O.pz-n-rrkjus.UPF<br>
> ATOMIC_POSITIONS crystal<br>
> Ni1 0.000000000 0.000000000 0.000000000<br>
> Ni2 0.500000000 0.500000000 0.500000000<br>
> Ni3 0.122863290 0.378190177 0.749934361<br>
> Ni3 0.877136710 0.621809823 0.250065639<br>
> Ni4 0.377137388 0.121809201 0.249932658<br>
> Ni4 0.622862612 0.878190799 0.750067342<br>
> V 0.373618754 0.623612138 0.115867980<br>
> V 0.126381501 0.876388862 0.615868582<br>
> V 0.626381246 0.376387862 0.884132020<br>
> V 0.873618499 0.123611138 0.384131418<br>
> O 0.241839036 0.756304999 0.223613779<br>
> O 0.258160617 0.743693910 0.723611944<br>
> O 0.758160964 0.243695001 0.776386221<br>
> O 0.741839383 0.256306090 0.276388056<br>
> O -0.000998332 1.000227439 0.243205274<br>
> O 0.500997862 0.499772508 0.743208489<br>
> O 1.000998332 -0.000227439 0.756794726<br>
> O 0.499002138 0.500227492 0.256791511<br>
> O 0.381099639 0.150692971 0.006796703<br>
> O 0.118898786 0.349304325 0.506798051<br>
> O 0.149581603 0.378555571 0.991989919<br>
> O 0.350419534 0.121445697 0.491991443<br>
> O 0.618900361 0.849307029 0.993205297<br>
> O 0.881101214 0.650695675 0.493203949<br>
> O 0.850418397 0.621444429 0.008012081<br>
> O 0.649580466 0.878554303 0.508010557<br>
><br>
> K_POINTS (automatic)<br>
> 5 5 5 1 1 1<br>
><br>
><br>
><br>
> On Sun, Jul 29, 2012 at 11:27 AM, Matteo Cococcioni <<a href="mailto:matteo@umn.edu">matteo@umn.edu</a>> wrote:<br>
>><br>
>> Dear Peng,<br>
>><br>
>> I'm not very expert of compiling codes. You have to make sure that all<br>
>> the libraries are linked correctly for the code to work. I assume you<br>
>> have QE installed on the same computer. You could give a look in the<br>
>> make.sys to check what is the correct way to link them. If everything<br>
>> is consistent, then you have to find out where the code is failing.<br>
>> have you tried to run with n1 = n2 = n3 = 1? what did you get?<br>
>><br>
>> Matteo<br>
>><br>
>><br>
>><br>
>> On Sat, Jul 28, 2012 at 9:10 PM, Peng Chen <<a href="mailto:pchen@ion.chem.utk.edu">pchen@ion.chem.utk.edu</a>> wrote:<br>
>> > Dear Dr. Matteo,<br>
>> ><br>
>> > I used command listed below to compile resp_mat.f90. No error in<br>
>> > compiling.<br>
>> > I am not sure if I did right in choosing the libs.<br>
>> > ifort -o r.x resp_mat.f90 -L"/data/apps/intel/11.1.072/mkl/lib/em64t"<br>
>> > -lmkl_lapack95_lp64 -lmkl_intel_lp64 -lmkl_mc3 -lmkl_sequential<br>
>> > -lmkl_core<br>
>> ><br>
>> > The libs in mkl are shown below:<br>
>> > libmkl_avx.so libmkl_intel_sp2dp.so<br>
>> > libmkl_blacs_ilp64.a libmkl_intel_thread.a<br>
>> > libmkl_blacs_intelmpi_ilp64.a libmkl_intel_thread.so<br>
>> > libmkl_blacs_intelmpi_ilp64.so libmkl_lapack95_ilp64.a<br>
>> > libmkl_blacs_intelmpi_lp64.a libmkl_lapack95_lp64.a<br>
>> > libmkl_blacs_intelmpi_lp64.so libmkl_lapack.so<br>
>> > libmkl_blacs_lp64.a libmkl_mc3.so<br>
>> > libmkl_blacs_openmpi_ilp64.a libmkl_mc.so<br>
>> > libmkl_blacs_openmpi_lp64.a libmkl_p4n.so<br>
>> > libmkl_blacs_sgimpt_ilp64.a libmkl_pgi_thread.a<br>
>> > libmkl_blacs_sgimpt_lp64.a libmkl_pgi_thread.so<br>
>> > libmkl_blas95_ilp64.a libmkl_scalapack_ilp64.a<br>
>> > libmkl_blas95_lp64.a libmkl_scalapack_ilp64.so<br>
>> > libmkl_cdft_core.a libmkl_scalapack_lp64.a<br>
>> > libmkl_core.a libmkl_scalapack_lp64.so<br>
>> > libmkl_core.so libmkl_sequential.a<br>
>> > libmkl_def.so libmkl_sequential.so<br>
>> > libmkl_gf_ilp64.a libmkl_solver_ilp64.a<br>
>> > libmkl_gf_ilp64.so libmkl_solver_ilp64_sequential.a<br>
>> > libmkl_gf_lp64.a libmkl_solver_lp64.a<br>
>> > libmkl_gf_lp64.so libmkl_solver_lp64_sequential.a<br>
>> > libmkl_gnu_thread.a libmkl_vml_avx.so<br>
>> > libmkl_gnu_thread.so libmkl_vml_def.so<br>
>> > libmkl_intel_ilp64.a libmkl_vml_mc2.so<br>
>> > libmkl_intel_ilp64.so libmkl_vml_mc3.so<br>
>> > libmkl_intel_lp64.a libmkl_vml_mc.so<br>
>> > libmkl_intel_lp64.so libmkl_vml_p4n.so<br>
>> > libmkl_intel_sp2dp.a locale<br>
>> ><br>
>> ><br>
>> > Some errors in output:<br>
>> > forrtl: severe (174): SIGSEGV, segmentation fault occurred<br>
>> > Image PC Routine Line<br>
>> > Source<br>
>> > r.x 0000000000445659 Unknown Unknown<br>
>> > Unknown<br>
>> > r.x 000000000040A363 Unknown Unknown<br>
>> > Unknown<br>
>> > r.x 000000000040338C Unknown Unknown<br>
>> > Unknown<br>
>> > libc.so.6 00002B85B9495994 Unknown Unknown<br>
>> > Unknown<br>
>> > r.x 0000000000403289 Unknown Unknown<br>
>> > Unknown<br>
>> ><br>
>> ><br>
>> > On Sat, Jul 28, 2012 at 10:38 AM, Matteo Cococcioni <<a href="mailto:matteo@umn.edu">matteo@umn.edu</a>><br>
>> > wrote:<br>
>> >><br>
>> >> Dear Peng,<br>
>> >><br>
>> >> nothing looks wrong in your input. have you tried with n1, n2, n3 all<br>
>> >> equal to 1? are you sure you compiled correctly?<br>
>> >><br>
>> >> Matteo<br>
>> >><br>
>> >><br>
>> >><br>
>> >> On Fri, Jul 27, 2012 at 11:46 PM, Peng Chen <<a href="mailto:pchen@ion.chem.utk.edu">pchen@ion.chem.utk.edu</a>><br>
>> >> wrote:<br>
>> >> > Dear Dr. Matteo,<br>
>> >> ><br>
>> >> > The primitive cell has 26 atoms with 3 different types. The pos and<br>
>> >> > <a href="http://resp_mat.in" target="_blank">resp_mat.in</a> files are shown below:<br>
>> >> ><br>
>> >> > 5.6087 10.79 0.0<br>
>> >> > 5.6087 -10.79 0.0<br>
>> >> > 0.0 0.0 15.570873<br>
>> >> > 0 0 0 1<br>
>> >> > 0.5 0.5 0.5 -1<br>
>> >> > 0.12286329 0.378190177 0.749934361 1<br>
>> >> > 0.87713671 0.621809823 0.250065639 1<br>
>> >> > 0.377137388 0.121809201 0.249932658 -1<br>
>> >> > 0.622862612 0.878190799 0.750067342 -1<br>
>> >> > 0.373618754 0.623612138 0.11586798 0<br>
>> >> > 0.126381501 0.876388862 0.615868582 0<br>
>> >> > 0.626381246 0.376387862 0.88413202 0<br>
>> >> > 0.873618499 0.123611138 0.384131418 0<br>
>> >> > 0.241839036 0.756304999 0.223613779 0<br>
>> >> > 0.258160617 0.74369391 0.723611944 0<br>
>> >> > 0.758160964 0.243695001 0.776386221 0<br>
>> >> > 0.741839383 0.25630609 0.276388056 0<br>
>> >> > -0.000998332 1.000227439 0.243205274 0<br>
>> >> > 0.500997862 0.499772508 0.743208489 0<br>
>> >> > 1.000998332 -0.000227439 0.756794726 0<br>
>> >> > 0.499002138 0.500227492 0.256791511 0<br>
>> >> > 0.381099639 0.150692971 0.006796703 0<br>
>> >> > 0.118898786 0.349304325 0.506798051 0<br>
>> >> > 0.149581603 0.378555571 0.991989919 0<br>
>> >> > 0.350419534 0.121445697 0.491991443 0<br>
>> >> > 0.618900361 0.849307029 0.993205297 0<br>
>> >> > 0.881101214 0.650695675 0.493203949 0<br>
>> >> > 0.850418397 0.621444429 0.008012081 0<br>
>> >> > 0.649580466 0.878554303 0.508010557 0<br>
>> >> ><br>
>> >> > <a href="http://resp_mat.in" target="_blank">resp_mat.in</a> :<br>
>> >> > &input_mat<br>
>> >> > ntyp = 3<br>
>> >> > na(1) = 6<br>
>> >> > na(2) = 4<br>
>> >> > na(3) = 16<br>
>> >> > nalfa = 5<br>
>> >> > magn=.true.<br>
>> >> > filepos = 'pos'<br>
>> >> > back = 'no'<br>
>> >> > filednda = 'file_afm'<br>
>> >> > n1 = 2<br>
>> >> > n2 = 2<br>
>> >> > n3 = 2<br>
>> >> > &end<br>
>> >> ><br>
>> >> ><br>
>> >> ><br>
>> >> > On Fri, Jul 27, 2012 at 3:02 PM, Matteo Cococcioni <<a href="mailto:matteo@umn.edu">matteo@umn.edu</a>><br>
>> >> > wrote:<br>
>> >> >><br>
>> >> >> Dear Peng,<br>
>> >> >><br>
>> >> >> can you provide info about your system? maybe it is larger than the<br>
>> >> >> maximum size allowed by r.x?<br>
>> >> >><br>
>> >> >> Matteo<br>
>> >> >><br>
>> >> >> On Fri, Jul 27, 2012 at 12:41 PM, Peng Chen <<a href="mailto:pchen@ion.chem.utk.edu">pchen@ion.chem.utk.edu</a>><br>
>> >> >> wrote:<br>
>> >> >> > Dear All,<br>
>> >> >> ><br>
>> >> >> > There are some errors when I run r.x to calculate the U. I used<br>
>> >> >> > Espresso-5.0<br>
>> >> >> > and follow the steps in LSDA+U example. I am not sure what could<br>
>> >> >> > be<br>
>> >> >> > wrong.<br>
>> >> >> > And if you need other input/output, please let me know.<br>
>> >> >> ><br>
>> >> >> > Image PC Routine Line Source<br>
>> >> >> > r.x 0822DACC Unknown Unknown<br>
>> >> >> > Unknown<br>
>> >> >> > r.x 0822C265 Unknown Unknown<br>
>> >> >> > Unknown<br>
>> >> >> > r.x 082071FA Unknown Unknown<br>
>> >> >> > Unknown<br>
>> >> >> > r.x 081DDFDA Unknown Unknown<br>
>> >> >> > Unknown<br>
>> >> >> > r.x 081FA33B Unknown Unknown<br>
>> >> >> > Unknown<br>
>> >> >> > r.x 081F9C5C Unknown Unknown<br>
>> >> >> > Unknown<br>
>> >> >> > r.x 0804E38F Unknown Unknown<br>
>> >> >> > Unknown<br>
>> >> >> > r.x 0804824A Unknown Unknown<br>
>> >> >> > Unknown<br>
>> >> >> > r.x 0823805D Unknown Unknown<br>
>> >> >> > Unknown<br>
>> >> >> > r.x 08048131 Unknown Unknown<br>
>> >> >> > Unknown<br>
>> >> >> > forrtl: severe (8): internal consistency check failure, file<br>
>> >> >> > ./src/libfor/for_wseq_lis.c, line 635<br>
>> >> >> > Image PC Routine Line Source<br>
>> >> >> > r.x 0822DACC Unknown Unknown<br>
>> >> >> > Unknown<br>
>> >> >> > r.x 0822C265 Unknown Unknown<br>
>> >> >> > Unknown<br>
>> >> >> > r.x 082071FA Unknown Unknown<br>
>> >> >> > Unknown<br>
>> >> >> > r.x 081DD664 Unknown Unknown<br>
>> >> >> > Unknown<br>
>> >> >> > r.x 081F9AF7 Unknown Unknown<br>
>> >> >> > Unknown<br>
>> >> >> > r.x 0804E38F Unknown Unknown<br>
>> >> >> > Unknown<br>
>> >> >> > r.x 0804824A Unknown Unknown<br>
>> >> >> > Unknown<br>
>> >> >> > r.x 0823805D Unknown Unknown<br>
>> >> >> > Unknown<br>
>> >> >> > r.x 08048131 Unknown Unknown<br>
>> >> >> > Unknown<br>
>> >> >> > forrtl: severe (174): SIGSEGV, segmentation fault occurred<br>
>> >> >> > Image PC Routine Line Source<br>
>> >> >> > r.x 0804DAED Unknown Unknown<br>
>> >> >> > Unknown<br>
>> >> >> > r.x 0804824A Unknown Unknown<br>
>> >> >> > Unknown<br>
>> >> >> > r.x 0823805D Unknown Unknown<br>
>> >> >> > Unknown<br>
>> >> >> > r.x 08048131 Unknown Unknown<br>
>> >> >> > Unknown<br>
>> >> >> > forrtl: severe (174): SIGSEGV, segmentation fault occurred<br>
>> >> >> > Image PC Routine Line Source<br>
>> >> >> > r.x 08253657 Unknown Unknown<br>
>> >> >> > Unknown<br>
>> >> >> > r.x 081F4087 Unknown Unknown<br>
>> >> >> > Unknown<br>
>> >> >> > r.x 081DCDB7 Unknown Unknown<br>
>> >> >> > Unknown<br>
>> >> >> > r.x 081DF354 Unknown Unknown<br>
>> >> >> > Unknown<br>
>> >> >> > r.x 081DD672 Unknown Unknown<br>
>> >> >> > Unknown<br>
>> >> >> > r.x 081DF5E8 Unknown Unknown<br>
>> >> >> > Unknown<br>
>> >> >> > Unknown FFFFE600 Unknown Unknown<br>
>> >> >> > Unknown<br>
>> >> >> > r.x 0804824A Unknown Unknown<br>
>> >> >> > Unknown<br>
>> >> >> > r.x 0823805D Unknown Unknown<br>
>> >> >> > Unknown<br>
>> >> >> > r.x 08048131 Unknown Unknown<br>
>> >> >> > Unknown<br>
>> >> >> ><br>
>> >> >> ><br>
>> >> >> > --<br>
>> >> >> > Best Regards.<br>
>> >> >> > Peng<br>
>> >> >> ><br>
>> >> >> > _______________________________________________<br>
>> >> >> > Pw_forum mailing list<br>
>> >> >> > <a href="mailto:Pw_forum@pwscf.org">Pw_forum@pwscf.org</a><br>
>> >> >> > <a href="http://www.democritos.it/mailman/listinfo/pw_forum" target="_blank">http://www.democritos.it/mailman/listinfo/pw_forum</a><br>
>> >> >> ><br>
>> >> >><br>
>> >> >><br>
>> >> >><br>
>> >> >> --<br>
>> >> >> Matteo Cococcioni<br>
>> >> >> Department of Chemical Engineering and Materials Science,<br>
>> >> >> University of Minnesota<br>
>> >> >> 421 Washington Av. SE<br>
>> >> >> Minneapolis, MN 55455<br>
>> >> >> Tel. <a href="tel:%2B1%20612%20624%209056" value="+16126249056">+1 612 624 9056</a> Fax <a href="tel:%2B1%20612%20626%207246" value="+16126267246">+1 612 626 7246</a><br>
>> >> >> _______________________________________________<br>
>> >> >> Pw_forum mailing list<br>
>> >> >> <a href="mailto:Pw_forum@pwscf.org">Pw_forum@pwscf.org</a><br>
>> >> >> <a href="http://www.democritos.it/mailman/listinfo/pw_forum" target="_blank">http://www.democritos.it/mailman/listinfo/pw_forum</a><br>
>> >> ><br>
>> >> ><br>
>> >> ><br>
>> >> ><br>
>> >> > --<br>
>> >> > Best Regards.<br>
>> >> > Peng<br>
>> >> ><br>
>> >> > _______________________________________________<br>
>> >> > Pw_forum mailing list<br>
>> >> > <a href="mailto:Pw_forum@pwscf.org">Pw_forum@pwscf.org</a><br>
>> >> > <a href="http://www.democritos.it/mailman/listinfo/pw_forum" target="_blank">http://www.democritos.it/mailman/listinfo/pw_forum</a><br>
>> >> ><br>
>> >><br>
>> >><br>
>> >><br>
>> >> --<br>
>> >> Matteo Cococcioni<br>
>> >> Department of Chemical Engineering and Materials Science,<br>
>> >> University of Minnesota<br>
>> >> 421 Washington Av. SE<br>
>> >> Minneapolis, MN 55455<br>
>> >> Tel. <a href="tel:%2B1%20612%20624%209056" value="+16126249056">+1 612 624 9056</a> Fax <a href="tel:%2B1%20612%20626%207246" value="+16126267246">+1 612 626 7246</a><br>
>> >> _______________________________________________<br>
>> >> Pw_forum mailing list<br>
>> >> <a href="mailto:Pw_forum@pwscf.org">Pw_forum@pwscf.org</a><br>
>> >> <a href="http://www.democritos.it/mailman/listinfo/pw_forum" target="_blank">http://www.democritos.it/mailman/listinfo/pw_forum</a><br>
>> ><br>
>> ><br>
>> ><br>
>> ><br>
>> > --<br>
>> > Best Regards.<br>
>> > Peng<br>
>> ><br>
>> > _______________________________________________<br>
>> > Pw_forum mailing list<br>
>> > <a href="mailto:Pw_forum@pwscf.org">Pw_forum@pwscf.org</a><br>
>> > <a href="http://www.democritos.it/mailman/listinfo/pw_forum" target="_blank">http://www.democritos.it/mailman/listinfo/pw_forum</a><br>
>> ><br>
>><br>
>><br>
>><br>
>> --<br>
>> Matteo Cococcioni<br>
>> Department of Chemical Engineering and Materials Science,<br>
>> University of Minnesota<br>
>> 421 Washington Av. SE<br>
>> Minneapolis, MN 55455<br>
>> Tel. <a href="tel:%2B1%20612%20624%209056" value="+16126249056">+1 612 624 9056</a> Fax <a href="tel:%2B1%20612%20626%207246" value="+16126267246">+1 612 626 7246</a><br>
>> _______________________________________________<br>
>> Pw_forum mailing list<br>
>> <a href="mailto:Pw_forum@pwscf.org">Pw_forum@pwscf.org</a><br>
>> <a href="http://www.democritos.it/mailman/listinfo/pw_forum" target="_blank">http://www.democritos.it/mailman/listinfo/pw_forum</a><br>
><br>
><br>
><br>
><br>
> --<br>
> Best Regards.<br>
> Peng<br>
><br>
> _______________________________________________<br>
> Pw_forum mailing list<br>
> <a href="mailto:Pw_forum@pwscf.org">Pw_forum@pwscf.org</a><br>
> <a href="http://www.democritos.it/mailman/listinfo/pw_forum" target="_blank">http://www.democritos.it/mailman/listinfo/pw_forum</a><br>
><br>
<br>
<br>
<br>
--<br>
Matteo Cococcioni<br>
Department of Chemical Engineering and Materials Science,<br>
University of Minnesota<br>
421 Washington Av. SE<br>
Minneapolis, MN 55455<br>
Tel. <a href="tel:%2B1%20612%20624%209056" value="+16126249056">+1 612 624 9056</a> Fax <a href="tel:%2B1%20612%20626%207246" value="+16126267246">+1 612 626 7246</a><br>
_______________________________________________<br>
Pw_forum mailing list<br>
<a href="mailto:Pw_forum@pwscf.org">Pw_forum@pwscf.org</a><br>
<a href="http://www.democritos.it/mailman/listinfo/pw_forum" target="_blank">http://www.democritos.it/mailman/listinfo/pw_forum</a><br>
</div></div></blockquote></div><br><br clear="all"><div><br></div>-- <br> Best Regards.<br> Peng <br>
</div>