EPW Forum

Dear Dr. Hari In my case,this error is caused by different atomic order of ATOMIC_POSITIONS (crystal) between scf.in (nscf.in) and ph.in. e.g: 1. ATOMIC_POSITIONS (crystal) S 0.0000000000 0.0000000000 0.0000000000 H 0.5000000000 0.5000000000 0.0000000000 H 0.5000000000 0.0000000000 0.5000000000 H 0 ...

Dear Dr. H. Lee

I'm sorry to bother you again, but I find the cause of this error.

The atomic order in ATOMIC_POSITIONS (crystal) in scf.in, which should be run before epw, should be same as ph.x.

best,
YSW

Dear Dr. H. Lee Thanks for your reply, it's worked. But I have a another problem now. I am getting this error: Error in routine dynmat_asr (11): inconsistent data (names) I sure that my prefix.dvscf_q* and prefix.dyn_q* are right. And q2r.x can also be run successful. I don't konw what cause this ...

Hi dear users and experts

I use the 5.4.1 epw version to calculate superconducting gap, and i find that the kmaps parameter is removed

1. If I want to resart epw, what parameter i need to set in epw-5.4.1
2. When should I use the input flag of "lacon=.true." ?

Best,
YSW

Dear Hari Paudyal:

Thank you for your reply.It is worked.
But, I have a problem.
Which file is contained the distribution of the isotropic superconducting gap on the Fermi surface?
Just like prefix.pade_aniso_gap0_XX when I am calculating anisotropic superconducting gap.

Sincerely,

YSW

Dear all,


I want to run EPW for calculating the isotropic superconducting properties.
What parameters do I need to set ?

I am looking forward to your reply.


Sincerely,

YSW

Dear all,


Sorry to bother you again.
How can I know from the graph or dates how many superconducting gaps there are.

I am looking forward to your reply.

Sincerely,

YSW

Dear H. Lee:


Thank you for your patient answer.
I will try and see what happens.


Sincerely,

YSW

Dear all, I have a trouble. In my case, I calculate superconductivity with 10 10 10 k/q grids, and I get a same lambda with 20 20 20 k/q grids.(degaussw = 0.5,lambda = 1.799) but, when I change degaussw,the value of lambda have a big change with 10 10 10 k/q grids.(degaussw = 0.4,lambda = 1.899 ...

Dear H. Lee：

Thank you for your guidance.
But,I have to say,I am a green hand.and I have some problems about using this script.

How should I execute this script ?
Need I use Prefix.imag_aniso_gap_FS_010.00 and nscf.out ? If I need, How should I use the date with this script ?


Sincerely,

YSW