[Pw_forum] about the lambda and the int alpha2F

[Wei Zhou]

first thank you for you reply.
I calculate the lambla from the electron-phonon calculation similiar
with the example 07, the lambda in fact should equal the int alpha2F,
but in my case, it doesnot equal at tall, the lambda always large than
int alpha2F
the input file for lambla is as following
#!/bin/sh
 cat > lambda.in <<EOF
4.49  0.05000  1
24
0.0000000    0.0000000    0.0000000    0.0102041
0.0000000    0.0000000    0.1580773    0.0204082
0.0000000    0.0000000   -0.3161547    0.0102041
0.0000000    0.1649572    0.0000000    0.0612245
0.0000000    0.1649572    0.1580773    0.1224490
0.0000000    0.1649572   -0.3161547    0.0612245
0.0000000    0.3299144    0.0000000    0.0612245
0.0000000    0.3299144    0.1580773    0.1224490
0.0000000    0.3299144   -0.3161547    0.0612245
0.0000000    0.4948717    0.0000000    0.0612245
0.0000000    0.4948717    0.1580773    0.1224490
0.0000000    0.4948717   -0.3161547    0.0612245
0.1428571    0.2474358    0.0000000    0.0612245
0.1428571    0.2474358    0.1580773    0.1224490
0.1428571    0.2474358   -0.3161547    0.0612245
0.1428571    0.4123930    0.0000000    0.1224490
0.1428571    0.4123930    0.1580773    0.2448980
0.1428571    0.4123930   -0.3161547    0.1224490
0.1428571    0.5773503    0.0000000    0.0612245
0.1428571    0.5773503    0.1580773    0.1224490
0.1428571    0.5773503   -0.3161547    0.0612245
0.2857143    0.4948717    0.0000000    0.0612245
0.2857143    0.4948717    0.1580773    0.1224490
0.2857143    0.4948717   -0.3161547    0.0612245
elph_1
elph_2
elph_3
elph_4
elph_5
elph_6
elph_7
elph_8
elph_9
elph_10
elph_11
elph_12
elph_13
elph_14
elph_15
elph_16
elph_17
elph_18
elph_19
elph_20
elph_21
elph_22
elph_23
elph_24
EOF
./lambda.x < lambda.in > lambda.out


2011/3/29, Eyvaz Isaev <eyvaz_isaev at yahoo.com>:
> Hi,
>
> Have you tried matdyn.x to calculate \lambda?
>
> Can you please send me your input file for lambda.x?
>
>> but if I increase the degauss larger than 1
>
> In my experience, degauss up to 0.1 is sufficient to get converged \lambda.
> So,
> there is no need for such kind HUGE degauss.
>
> Bests,
> Eyvaz.
>
>
> -------------------------------------------------------------------
> Prof. Eyvaz Isaev,
> Department of Physics, Chemistry, and Biology (IFM), Linkoping University,
> Sweden
>
> Theoretical Physics Department, Moscow State Institute of Steel & Alloys,
> Russia,
>
> isaev at ifm.liu.se, eyvaz_isaev at yahoo.com
>
>
>
> ----- Original Message ----
> From: Wei Zhou <zdw2000 at gmail.com>
> To: PWSCF Forum <pw_forum at pwscf.org>
> Sent: Tue, March 29, 2011 1:14:22 AM
> Subject: [Pw_forum] about the lambda and the int alpha2F
>
> dear users
> I want to calculate the elelectron-phonon coupling, but I found the
> lambda is always larger then int alpha2F, but if I increase the
> degauss larger than 1, then the lambda can equal the int alpha2F, but
> the degauss should be little than 1, so I fell puzzle, is there
> something wrong with me ?
> -- # degauss   lambda    int alpha2F  <log w>     N(Ef)
>   0.010    0.832693    0.648345   122.705    8.265196
>   0.020    0.829206    0.674542   123.132    8.626953
>   0.030    0.934942    0.748056   124.828   10.124415
>   0.040    0.992269    0.788636   125.307   10.954579
>   0.050    1.011396    0.801566   125.525   11.343069
>   0.060    1.023042    0.810451   125.690   11.551418
>   0.070    1.035084    0.820935   125.782   11.696555
>   0.080    1.047341    0.832322   125.801   11.819719
>   0.090    1.058079    0.842801   125.773   11.931143
>   0.100    1.066089    0.851119   125.728   12.031502
>
> any help will be apprecialted
> ZhouDawei
> JiLin Universiyt ,ChangChun ,China
> zdw2000 at gmail.com
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-- 
ZhouDawei
JiLin Universiyt ,ChangChun ,China
zdw2000 at gmail.com