Re: [Pw_forum] Strange Values of Tc
Dear Lorenzo, I appreciate your very useful comment. Effort is being made to ensure non negative frequencies. Thanks a lot, Isaiah On Sat, Jul 29, 2017 at 10:50 AM, Lorenzo Paulatto < lorenzo.paula...@impmc.upmc.fr> wrote: > I'm not an expert of this specific calculation, but I suspect that the > equation breaks down if even a tiny negative frequency is present. This > because energy conservation between phonons and electrons would not be > enforceable in a meaningful way. Sometimes, if the system has internal > degrees of freedom, a very fine relax calculation can remove negative > frequencies. Or if they arise from interpolation, changing the sum rule > method. > > -- > Lorenzo Paulatto > Written on a virtual keyboard with real fingers > > On 29 Jul 2017 10:15 a.m., "Isaiah Moses" wrote: > > Dr Giovanni, > Thanks a lot. > I appreciate your response. > We observed few values of frequencies to be negative. > Matdyn1 has few more with others having either the first or the first 2/3 > to be negative. > We set those to be zero, modifying lambda.f90 code. > > Could that be the problem? > > I've attached the input/output for lambda.x execution. Also matdyn1 and 45. > > There are 62-points and 33 irreps. > I appreciate your time. > > On Fri, Jul 28, 2017 at 12:17 PM, Isaiah Moses wrote: > >> Here is lambda.in and out. >> >> On Fri, Jul 28, 2017 at 12:13 PM, Isaiah Moses >> wrote: >> >>> Dr Giovanni, >>> Thanks a lot. >>> I appreciate your response. >>> We observed few values of frequencies to be negative. >>> Matdyn1 has few more with others having either the first or the first >>> 2/3 to be negative. >>> We set those to be zero, modifying lambda.f90 code. >>> >>> Could that be the problem? >>> >>> I've attached the input/output for lambda.x execution. Also matdyn1 and >>> 45. >>> >>> There are 62-points and 33 irreps. >>> I appreciate your time. >>> >>> Isaiah >>> >>> On Fri, Jul 28, 2017 at 10:41 AM, Giovanni Cantele < >>> giovanni.cant...@spin.cnr.it> wrote: >>> Not that easy to answer without seeing relevant input/output files. As far as I know, Tc is quite difficult to converge. Did you made VERY VERY VERY careful checks on convergence with resect to ALL calculation parameters, starting from phonon frequencies? Giovanni On 28 Jul 2017, at 11:37, Isaiah Moses wrote: Dear everyone, I did an el-ph calculation of a monoclinic structure and am getting really strange values of Tc . See the result below lambdaomega_log T_c 0.00994 112.0480.10012314E+08 0.0376092.3730.13380511E+10 0.0756490.2470.39802174E+19 0.0995989.4140.19865362E+78 0.1101089.4630.40671597-151 0.1145490.3290.16986711E-65 0.1167892.3200.99512429E-51 0.1177294.6570.29927798E-46 0.1174497.1410.16242032E-47 0.1161999.4420.65514785E-54 I'm wondering why such values. Any comment shall be greatly appreciated. Thanks, Isaiah -- Isaiah Abu Moses Graduate Student, Physics Department, University of Ibadan, Nigeria -- Isaiah Abu Moses Graduate Student, Physics Department, University of Ibadan, Nigeria ___ Pw_forum mailing list Pw_forum@pwscf.org http://pwscf.org/mailman/listinfo/pw_forum -- Giovanni Cantele, PhD CNR-SPIN c/o Dipartimento di Fisica Universita' di Napoli "Federico II" Complesso Universitario M. S. Angelo - Ed. 6 Via Cintia, I-80126, Napoli, Italy e-mail: giovanni.cant...@spin.cnr.it Phone: +39 081 676910 <+39%20081%20676910> Skype contact: giocan74 ResearcherID: http://www.researcherid.com/rid/A-1951-2009 Web page: http://people.fisica.unina.it/~cantele ___ Pw_forum mailing list Pw_forum@pwscf.org http://pwscf.org/mailman/listinfo/pw_forum >>> >>> >>> >>> -- >>> Isaiah Abu Moses >>> Graduate Student, >>> Physics Department, >>> University of Ibadan, >>> Nigeria >>> >> >> >> >> -- >> Isaiah Abu Moses >> Graduate Student, >> Physics Department, >> University of Ibadan, >> Nigeria >> > > > > -- > Isaiah Abu Moses > Graduate Student, > Physics Department, > University of Ibadan, > Nigeria > > ___ > Pw_forum mailing list > Pw_forum@pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum > > > > ___ > Pw_forum mailing list > Pw_forum@pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum > -- Isaiah Abu Moses Graduate Student, Physics Department, Univer
Re: [Pw_forum] Strange Values of Tc
I'm not an expert of this specific calculation, but I suspect that the equation breaks down if even a tiny negative frequency is present. This because energy conservation between phonons and electrons would not be enforceable in a meaningful way. Sometimes, if the system has internal degrees of freedom, a very fine relax calculation can remove negative frequencies. Or if they arise from interpolation, changing the sum rule method. -- Lorenzo Paulatto Written on a virtual keyboard with real fingers On 29 Jul 2017 10:15 a.m., "Isaiah Moses" wrote: Dr Giovanni, Thanks a lot. I appreciate your response. We observed few values of frequencies to be negative. Matdyn1 has few more with others having either the first or the first 2/3 to be negative. We set those to be zero, modifying lambda.f90 code. Could that be the problem? I've attached the input/output for lambda.x execution. Also matdyn1 and 45. There are 62-points and 33 irreps. I appreciate your time. On Fri, Jul 28, 2017 at 12:17 PM, Isaiah Moses wrote: > Here is lambda.in and out. > > On Fri, Jul 28, 2017 at 12:13 PM, Isaiah Moses wrote: > >> Dr Giovanni, >> Thanks a lot. >> I appreciate your response. >> We observed few values of frequencies to be negative. >> Matdyn1 has few more with others having either the first or the first 2/3 >> to be negative. >> We set those to be zero, modifying lambda.f90 code. >> >> Could that be the problem? >> >> I've attached the input/output for lambda.x execution. Also matdyn1 and >> 45. >> >> There are 62-points and 33 irreps. >> I appreciate your time. >> >> Isaiah >> >> On Fri, Jul 28, 2017 at 10:41 AM, Giovanni Cantele < >> giovanni.cant...@spin.cnr.it> wrote: >> >>> Not that easy to answer without seeing relevant input/output files. >>> >>> As far as I know, Tc is quite difficult to converge. Did you made VERY >>> VERY VERY careful checks on convergence with >>> resect to ALL calculation parameters, starting from phonon frequencies? >>> >>> Giovanni >>> >>> >>> On 28 Jul 2017, at 11:37, Isaiah Moses wrote: >>> >>> Dear everyone, >>> >>> I did an el-ph calculation of a monoclinic structure and am getting >>> really strange values of Tc . See the result below >>> lambdaomega_log T_c >>>0.00994 112.0480.10012314E+08 >>>0.0376092.3730.13380511E+10 >>>0.0756490.2470.39802174E+19 >>>0.0995989.4140.19865362E+78 >>>0.1101089.4630.40671597-151 >>>0.1145490.3290.16986711E-65 >>>0.1167892.3200.99512429E-51 >>>0.1177294.6570.29927798E-46 >>>0.1174497.1410.16242032E-47 >>>0.1161999.4420.65514785E-54 >>> >>> I'm wondering why such values. >>> >>> Any comment shall be greatly appreciated. >>> >>> Thanks, >>> Isaiah >>> >>> -- >>> Isaiah Abu Moses >>> Graduate Student, >>> Physics Department, >>> University of Ibadan, >>> Nigeria >>> >>> >>> >>> -- >>> Isaiah Abu Moses >>> Graduate Student, >>> Physics Department, >>> University of Ibadan, >>> Nigeria >>> ___ >>> Pw_forum mailing list >>> Pw_forum@pwscf.org >>> http://pwscf.org/mailman/listinfo/pw_forum >>> >>> >>> -- >>> >>> Giovanni Cantele, PhD >>> CNR-SPIN >>> c/o Dipartimento di Fisica >>> Universita' di Napoli "Federico II" >>> Complesso Universitario M. S. Angelo - Ed. 6 >>> Via Cintia, I-80126, Napoli, Italy >>> e-mail: giovanni.cant...@spin.cnr.it >>> Phone: +39 081 676910 <+39%20081%20676910> >>> Skype contact: giocan74 >>> >>> ResearcherID: http://www.researcherid.com/rid/A-1951-2009 >>> Web page: http://people.fisica.unina.it/~cantele >>> >>> >>> ___ >>> Pw_forum mailing list >>> Pw_forum@pwscf.org >>> http://pwscf.org/mailman/listinfo/pw_forum >>> >> >> >> >> -- >> Isaiah Abu Moses >> Graduate Student, >> Physics Department, >> University of Ibadan, >> Nigeria >> > > > > -- > Isaiah Abu Moses > Graduate Student, > Physics Department, > University of Ibadan, > Nigeria > -- Isaiah Abu Moses Graduate Student, Physics Department, University of Ibadan, Nigeria ___ Pw_forum mailing list Pw_forum@pwscf.org http://pwscf.org/mailman/listinfo/pw_forum ___ Pw_forum mailing list Pw_forum@pwscf.org http://pwscf.org/mailman/listinfo/pw_forum
Re: [Pw_forum] Strange Values of Tc
Dear Prof Warren, Yes, QE uses the Allen-Dynes equation to determine the Tc. I appreciate your additional insight in to the value of lambda. We're reexamining to ensure that computational errors and noises are ruled out. Then conclusive inference can be made from the result. Your response is really appreciated. Isaiah. On Fri, Jul 28, 2017 at 3:18 PM, Warren Pickett wrote: > Isaiah, > > I'm not familiar with the workings of QE, but without solution of the > full Eliashberg equations it must be using the Allen-Dynes equation (as > most do) to obtain Tc. > > The basic fact is that with a standard Coulomb repulsion mu-star = > 0.10-0.15, with lambda less than 0.3 or so there will be no > superconductivity. The A-D equation was not fit to tiny values of Tc and no > one should be interested in those results. If non-zero, they will be > extremely sensitive to lambda, as you can see. [And you can get > nonsensical large values! as you can see] > > So just accept that if lambda < 0.3 or so, any results cannot be trusted > and its not an interesting el-ph superconductor. > > Warren > > > Warren E. Pickett > Distinguished Professor of Physics > Department of Physics > University of California Davis > Davis CA 95616, USA > Cell: 530-220-2138 > > On Fri, Jul 28, 2017 at 12:24 AM, Isaiah Moses wrote: > >> Dear everyone, >> >> I did an el-ph calculation of a monoclinic structure and am getting >> really strange values of Tc . See the result below >> lambdaomega_log T_c >>0.00994 112.0480.10012314E+08 >>0.0376092.3730.13380511E+10 >>0.0756490.2470.39802174E+19 >>0.0995989.4140.19865362E+78 >>0.1101089.4630.40671597-151 >>0.1145490.3290.16986711E-65 >>0.1167892.3200.99512429E-51 >>0.1177294.6570.29927798E-46 >>0.1174497.1410.16242032E-47 >>0.1161999.4420.65514785E-54 >> >> I'm wondering why such values. >> >> Any comment shall be greatly appreciated. >> >> Thanks, >> Isaiah >> >> -- >> Isaiah Abu Moses >> Graduate Student, >> Physics Department, >> University of Ibadan, >> Nigeria >> >> ___ >> Pw_forum mailing list >> Pw_forum@pwscf.org >> http://pwscf.org/mailman/listinfo/pw_forum >> > > > ___ > Pw_forum mailing list > Pw_forum@pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum > -- Isaiah Abu Moses Graduate Student, Physics Department, University of Ibadan, Nigeria ___ Pw_forum mailing list Pw_forum@pwscf.org http://pwscf.org/mailman/listinfo/pw_forum
Re: [Pw_forum] Strange Values of Tc
Isaiah, I'm not familiar with the workings of QE, but without solution of the full Eliashberg equations it must be using the Allen-Dynes equation (as most do) to obtain Tc. The basic fact is that with a standard Coulomb repulsion mu-star = 0.10-0.15, with lambda less than 0.3 or so there will be no superconductivity. The A-D equation was not fit to tiny values of Tc and no one should be interested in those results. If non-zero, they will be extremely sensitive to lambda, as you can see. [And you can get nonsensical large values! as you can see] So just accept that if lambda < 0.3 or so, any results cannot be trusted and its not an interesting el-ph superconductor. Warren Warren E. Pickett Distinguished Professor of Physics Department of Physics University of California Davis Davis CA 95616, USA Cell: 530-220-2138 On Fri, Jul 28, 2017 at 12:24 AM, Isaiah Moses wrote: > Dear everyone, > > I did an el-ph calculation of a monoclinic structure and am getting really > strange values of Tc . See the result below > lambdaomega_log T_c >0.00994 112.0480.10012314E+08 >0.0376092.3730.13380511E+10 >0.0756490.2470.39802174E+19 >0.0995989.4140.19865362E+78 >0.1101089.4630.40671597-151 >0.1145490.3290.16986711E-65 >0.1167892.3200.99512429E-51 >0.1177294.6570.29927798E-46 >0.1174497.1410.16242032E-47 >0.1161999.4420.65514785E-54 > > I'm wondering why such values. > > Any comment shall be greatly appreciated. > > Thanks, > Isaiah > > -- > Isaiah Abu Moses > Graduate Student, > Physics Department, > University of Ibadan, > Nigeria > > ___ > Pw_forum mailing list > Pw_forum@pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum > ___ Pw_forum mailing list Pw_forum@pwscf.org http://pwscf.org/mailman/listinfo/pw_forum
Re: [Pw_forum] Strange values of Tc
Yes Dr Giovanni. We're working on that. I appreciate your time, Isaiah On Fri, Jul 28, 2017 at 1:34 PM, Giovanni Cantele < giovanni.cant...@spin.cnr.it> wrote: > I’m not an expert about el-ph calculations. However, if it were a > calculation made by myself, > I would never trust Tc values obtained after modifying by hand lambda.f90, > even if they were perfectly reasonable. > > el-ph calculations for sure require extremely well converged electron > calculations as well as well extremely well converged phonon > calculations. So I would go through the phonon calculation, understand why > there are negative frequencies and, > even once you have obtained all positive frequencies, understand whether > or not they are converged. > > Giovanni > > > On 28 Jul 2017, at 13:26, Isaiah Moses wrote: > > Thanks a lot, Dr Giovanni. > I appreciate your response. > We observed few values of frequencies to be negative. > Matdyn1 has few more with others having either the first or the first 2/3 > to be negative. > We set those to be zero, modifying lambda.f90 code. > > Could that be the problem? > > I've attached the input/output for lambda.x execution. Also matdyn1. > > There are 62-points and 33 irreps. > I appreciate your time. > > -- > Isaiah Abu Moses > Graduate Student, > Physics Department, > University of Ibadan, > Nigeria > __ > _ > Pw_forum mailing list > Pw_forum@pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum > > > -- > > Giovanni Cantele, PhD > CNR-SPIN > c/o Dipartimento di Fisica > Universita' di Napoli "Federico II" > Complesso Universitario M. S. Angelo - Ed. 6 > Via Cintia, I-80126, Napoli, Italy > e-mail: giovanni.cant...@spin.cnr.it > Phone: +39 081 676910 > Skype contact: giocan74 > > ResearcherID: http://www.researcherid.com/rid/A-1951-2009 > Web page: http://people.fisica.unina.it/~cantele > > > ___ > Pw_forum mailing list > Pw_forum@pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum > -- Isaiah Abu Moses Graduate Student, Physics Department, University of Ibadan, Nigeria ___ Pw_forum mailing list Pw_forum@pwscf.org http://pwscf.org/mailman/listinfo/pw_forum
Re: [Pw_forum] Strange values of Tc
I’m not an expert about el-ph calculations. However, if it were a calculation made by myself, I would never trust Tc values obtained after modifying by hand lambda.f90, even if they were perfectly reasonable. el-ph calculations for sure require extremely well converged electron calculations as well as well extremely well converged phonon calculations. So I would go through the phonon calculation, understand why there are negative frequencies and, even once you have obtained all positive frequencies, understand whether or not they are converged. Giovanni > On 28 Jul 2017, at 13:26, Isaiah Moses wrote: > > Thanks a lot, Dr Giovanni. > I appreciate your response. > We observed few values of frequencies to be negative. > Matdyn1 has few more with others having either the first or the first 2/3 to > be negative. > We set those to be zero, modifying lambda.f90 code. > > Could that be the problem? > > I've attached the input/output for lambda.x execution. Also matdyn1. > > There are 62-points and 33 irreps. > I appreciate your time. > > -- > Isaiah Abu Moses > Graduate Student, > Physics Department, > University of Ibadan, > Nigeria > ___ > Pw_forum mailing list > Pw_forum@pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum -- Giovanni Cantele, PhD CNR-SPIN c/o Dipartimento di Fisica Universita' di Napoli "Federico II" Complesso Universitario M. S. Angelo - Ed. 6 Via Cintia, I-80126, Napoli, Italy e-mail: giovanni.cant...@spin.cnr.it Phone: +39 081 676910 Skype contact: giocan74 ResearcherID: http://www.researcherid.com/rid/A-1951-2009 Web page: http://people.fisica.unina.it/~cantele ___ Pw_forum mailing list Pw_forum@pwscf.org http://pwscf.org/mailman/listinfo/pw_forum
Re: [Pw_forum] Strange values of Tc
Thanks a lot, Dr Giovanni. I appreciate your response. We observed few values of frequencies to be negative. Matdyn1 has few more with others having either the first or the first 2/3 to be negative. We set those to be zero, modifying lambda.f90 code. Could that be the problem? I've attached the input/output for lambda.x execution. Also matdyn1. There are 62-points and 33 irreps. I appreciate your time. -- Isaiah Abu Moses Graduate Student, Physics Department, University of Ibadan, Nigeria CyanoPh_lambda.in Description: Binary data CyanoPh_lambda.out Description: Binary data matdyn1 Description: Binary data ___ Pw_forum mailing list Pw_forum@pwscf.org http://pwscf.org/mailman/listinfo/pw_forum
Re: [Pw_forum] Strange Values of Tc
Here is lambda.in and out. On Fri, Jul 28, 2017 at 12:13 PM, Isaiah Moses wrote: > Dr Giovanni, > Thanks a lot. > I appreciate your response. > We observed few values of frequencies to be negative. > Matdyn1 has few more with others having either the first or the first 2/3 > to be negative. > We set those to be zero, modifying lambda.f90 code. > > Could that be the problem? > > I've attached the input/output for lambda.x execution. Also matdyn1 and 45. > > There are 62-points and 33 irreps. > I appreciate your time. > > Isaiah > > On Fri, Jul 28, 2017 at 10:41 AM, Giovanni Cantele < > giovanni.cant...@spin.cnr.it> wrote: > >> Not that easy to answer without seeing relevant input/output files. >> >> As far as I know, Tc is quite difficult to converge. Did you made VERY >> VERY VERY careful checks on convergence with >> resect to ALL calculation parameters, starting from phonon frequencies? >> >> Giovanni >> >> >> On 28 Jul 2017, at 11:37, Isaiah Moses wrote: >> >> Dear everyone, >> >> I did an el-ph calculation of a monoclinic structure and am getting >> really strange values of Tc . See the result below >> lambdaomega_log T_c >>0.00994 112.0480.10012314E+08 >>0.0376092.3730.13380511E+10 >>0.0756490.2470.39802174E+19 >>0.0995989.4140.19865362E+78 >>0.1101089.4630.40671597-151 >>0.1145490.3290.16986711E-65 >>0.1167892.3200.99512429E-51 >>0.1177294.6570.29927798E-46 >>0.1174497.1410.16242032E-47 >>0.1161999.4420.65514785E-54 >> >> I'm wondering why such values. >> >> Any comment shall be greatly appreciated. >> >> Thanks, >> Isaiah >> >> -- >> Isaiah Abu Moses >> Graduate Student, >> Physics Department, >> University of Ibadan, >> Nigeria >> >> >> >> -- >> Isaiah Abu Moses >> Graduate Student, >> Physics Department, >> University of Ibadan, >> Nigeria >> ___ >> Pw_forum mailing list >> Pw_forum@pwscf.org >> http://pwscf.org/mailman/listinfo/pw_forum >> >> >> -- >> >> Giovanni Cantele, PhD >> CNR-SPIN >> c/o Dipartimento di Fisica >> Universita' di Napoli "Federico II" >> Complesso Universitario M. S. Angelo - Ed. 6 >> Via Cintia, I-80126, Napoli, Italy >> e-mail: giovanni.cant...@spin.cnr.it >> Phone: +39 081 676910 >> Skype contact: giocan74 >> >> ResearcherID: http://www.researcherid.com/rid/A-1951-2009 >> Web page: http://people.fisica.unina.it/~cantele >> >> >> ___ >> Pw_forum mailing list >> Pw_forum@pwscf.org >> http://pwscf.org/mailman/listinfo/pw_forum >> > > > > -- > Isaiah Abu Moses > Graduate Student, > Physics Department, > University of Ibadan, > Nigeria > -- Isaiah Abu Moses Graduate Student, Physics Department, University of Ibadan, Nigeria CyanoPh_lambda.in Description: Binary data CyanoPh_lambda.out Description: Binary data ___ Pw_forum mailing list Pw_forum@pwscf.org http://pwscf.org/mailman/listinfo/pw_forum
Re: [Pw_forum] Strange Values of Tc
Not that easy to answer without seeing relevant input/output files. As far as I know, Tc is quite difficult to converge. Did you made VERY VERY VERY careful checks on convergence with resect to ALL calculation parameters, starting from phonon frequencies? Giovanni > On 28 Jul 2017, at 11:37, Isaiah Moses wrote: > > Dear everyone, > > I did an el-ph calculation of a monoclinic structure and am getting really > strange values of Tc . See the result below > lambdaomega_log T_c >0.00994 112.0480.10012314E+08 >0.0376092.3730.13380511E+10 >0.0756490.2470.39802174E+19 >0.0995989.4140.19865362E+78 >0.1101089.4630.40671597-151 >0.1145490.3290.16986711E-65 >0.1167892.3200.99512429E-51 >0.1177294.6570.29927798E-46 >0.1174497.1410.16242032E-47 >0.1161999.4420.65514785E-54 > > I'm wondering why such values. > > Any comment shall be greatly appreciated. > > Thanks, > Isaiah > > -- > Isaiah Abu Moses > Graduate Student, > Physics Department, > University of Ibadan, > Nigeria > > > > -- > Isaiah Abu Moses > Graduate Student, > Physics Department, > University of Ibadan, > Nigeria > ___ > Pw_forum mailing list > Pw_forum@pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum -- Giovanni Cantele, PhD CNR-SPIN c/o Dipartimento di Fisica Universita' di Napoli "Federico II" Complesso Universitario M. S. Angelo - Ed. 6 Via Cintia, I-80126, Napoli, Italy e-mail: giovanni.cant...@spin.cnr.it Phone: +39 081 676910 Skype contact: giocan74 ResearcherID: http://www.researcherid.com/rid/A-1951-2009 Web page: http://people.fisica.unina.it/~cantele ___ Pw_forum mailing list Pw_forum@pwscf.org http://pwscf.org/mailman/listinfo/pw_forum
[Pw_forum] Strange Values of Tc
Dear everyone, I did an el-ph calculation of a monoclinic structure and am getting really strange values of Tc . See the result below lambdaomega_log T_c 0.00994 112.0480.10012314E+08 0.0376092.3730.13380511E+10 0.0756490.2470.39802174E+19 0.0995989.4140.19865362E+78 0.1101089.4630.40671597-151 0.1145490.3290.16986711E-65 0.1167892.3200.99512429E-51 0.1177294.6570.29927798E-46 0.1174497.1410.16242032E-47 0.1161999.4420.65514785E-54 I'm wondering why such values. Any comment shall be greatly appreciated. Thanks, Isaiah -- Isaiah Abu Moses Graduate Student, Physics Department, University of Ibadan, Nigeria -- Isaiah Abu Moses Graduate Student, Physics Department, University of Ibadan, Nigeria ___ Pw_forum mailing list Pw_forum@pwscf.org http://pwscf.org/mailman/listinfo/pw_forum
[Pw_forum] Strange Values of Tc
Dear everyone, I did an el-ph calculation of a monoclinic structure and am getting really strange values of Tc . See the result below lambdaomega_log T_c 0.00994 112.0480.10012314E+08 0.0376092.3730.13380511E+10 0.0756490.2470.39802174E+19 0.0995989.4140.19865362E+78 0.1101089.4630.40671597-151 0.1145490.3290.16986711E-65 0.1167892.3200.99512429E-51 0.1177294.6570.29927798E-46 0.1174497.1410.16242032E-47 0.1161999.4420.65514785E-54 I'm wondering why such values. Any comment shall be greatly appreciated. Thanks, Isaiah -- Isaiah Abu Moses Graduate Student, Physics Department, University of Ibadan, Nigeria ___ Pw_forum mailing list Pw_forum@pwscf.org http://pwscf.org/mailman/listinfo/pw_forum
