yambo for ypp
Posted: Sun Feb 07, 2010 2:02 pm
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 .
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 .