yambo for ypp

[enorouzi]

Dear all

I have a problem in running yambo for ypp. I run "yambo -o b -y d -V 3" command as Dr. Daniele suggested for ypp calculation in my system(tio2 rutile unit cell). but when I run this command for tio2 rutile or anatase slab with 48 atoms,I faced with following error;

<---> [01] Job Setup
<---> [02] Input variables setup
<---> [02.01] Unit cells
<---> [02.02] Symmetries
<---> [02.03] RL shells
<---> [02.04] K-grid lattice
<---> [02.05] Energies [ev] & Occupations
<---> [03] Transferred momenta grid
<---> [04] External QP corrections (K)
<---> [05] Bethe-Salpeter Kernel
<---> [BSE] Kernel dimension : 22016
<---> [05.01] Screneed interaction header I/O
<---> [WARNING]BS section skipped. PP/Em1s DB does not fit/exist
<---> [06] BSE solver(s)
<---> [07] Game Over & Game summary

which it doesn't produce any output.

Thank you for your help in advance .

[Daniele Varsano]

Dear Abrham,
check if you have in the ./SAVE directory the screening database (i.e. ndb.em1s or ndb.pp)
If you have not, you have to calculate it in order to construct the BS kernel.
In order to do that, you should create your input typing

>yambo -b (you can also do it togheter with the orhter runlevel, i.e.
> yambo -b -o b -y h ....

Next, if you want to use the ypp for plotting
excitonic wave function, don't forget to uncomment the following flag:
#WRbsWF # [BSS] Write to disk excitonic the FWs
before diagonalizing the excitonic Hamiltonian.

Hope it helps,

Daniele