Error for real-time example

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Error for real-time example

Postby sdwang » Tue Mar 12, 2019 11:30 am

Dear all,
I used Yambo-4.3.2 to do the rt calculations as depicted in yambopy example. When I generate ELPH using ypp_ph, I got an error as:

<---> [01] CPU structure, Files & I/O Directories
<---> [02] Y(ambo) P(ost)/(re) P(rocessor)
<---> [03] Core DB
<---> :: Electrons : 8.000000
<---> :: Temperature [ev]: 0.000000
<---> :: Lattice factors [a.u.]: 5.150000 5.150000 5.150000
<---> :: K points : 13
<---> :: Bands : 30
<---> :: Symmetries : 12
<---> :: RL vectors : 5985
<---> [04] K-point grid
<---> :: Q-points (IBZ): 1
<---> :: X K-points (IBZ): 13
<---> [05] CORE Variables Setup
<---> [05.01] Unit cells
<---> [05.02] Symmetries
<---> [05.03] RL shells
<---> [05.04] K-grid lattice
<---> [05.05] Energies [ev] & Occupations
<---> [06] == Electron-Phonon Interface: PW->Yambo Databases ==

[ERROR] STOP signal received while in :[06] == Electron-Phonon Interface: PW->Yambo Databases ==
[ERROR]Missing extended k/q scattering database. Please run a bse setup

All the input are same as in example/Si in yambopy.

Tanks!

SD
S. D. Wang
IMU,HOHHOT,CHINA
E-mail: sdwang@imu.edu.cn
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Re: Error for real-time example

Postby Davide Sangalli » Tue Mar 12, 2019 1:16 pm

Dear Wang,
electron-phonon scattering during real-time simulations is not yet available in the GPL version of yambo.
You can only do real-time simulations with static electron-electron self-energies

This means that the code to run section 4 in the yambopy example is not yet available.

Best,
D.
Davide Sangalli, PhD
CNR-ISM, Division of Ultrafast Processes in Materials (FLASHit) and MaX Centre
http://www.ism.cnr.it/en/davide-sangalli-cv/
http://www.max-centre.eu/
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