Dear developers,

I calculated the band structure with G0W0 method using yambo, when I made it without soc effect, I added the "GfnQPdb = E < gw/ndb.QP" into input after a long-time gw calculation and everything goes well. I got two band structures with DFT and G0W0. But when I added soc effect into the calculation, I repeated the same steps, the following problems appeared,

1) the external corrections of gw can't be added.

2) the DFT band structure in output can't be interpolated with ypp, the ypp error message is as following,

<---> [M 0.068 Gb] Alloc RL_Gshells RL_Eshells ( 0.062)

__ __ ______ ____ _____

/\ \ /\ \\ _ \ /"\_/`\/\ _`\ /\ __`\

\ `\`\\/"/ \ \L\ \/\ \ \ \L\ \ \ \/\ \

`\ `\ /" \ \ __ \ \ \__\ \ \ _ <" \ \ \ \

`\ \ \ \ \ \/\ \ \ \_/\ \ \ \L\ \ \ \_\ \

\ \_\ \ \_\ \_\ \_\\ \_\ \____/\ \_____\

\/_/ \/_/\/_/\/_/ \/_/\/___/ \/_____/

<---> [01] CPU structure, Files & I/O Directories

<---> [02] Y(ambo) P(ost)/(re) P(rocessor)

<---> [03] Core DB

<---> :: Electrons : 94.00000

<---> :: Temperature [ev]:0.9500E-3

<---> :: Lattice factors [a.u.]: 10.85228 10.85228 10.85228

<---> :: K points : 16

<---> :: Bands : 200

<---> :: Symmetries : 48

<---> :: RL vectors : 345301

<---> [04] K-point grid

<---> :: Q-points (IBZ): 16

<---> :: X K-points (IBZ): 16

<---> [05] CORE Variables Setup

<---> [05.01] Unit cells

<01s> [05.02] Symmetries

<01s> [05.03] RL shells

<01s> [05.04] K-grid lattice

<01s> [05.05] Energies [ev] & Occupations

<01s> [06] Interpolation tool

<01s> Number of K-points in the circuit : 8

<01s> [INTERPOLATION] Number of shells: 135

<01s> [INTERPOLATION] Errors: Max, Avg, Avg_rel = 5.36441803E-07 6.18165359E-08 1.86887107E-07

<01s> Spinor-factor | | [000%] --(E) --(X)

<01s> [M 0.098 Gb] Alloc FFT_rot ( 0.028)

<01s> [M 0.136 Gb] Alloc WF ( 0.038)

<01s> [M 0.203 Gb] Alloc wf_disk ( 0.064)

<02s> [M 0.070 Gb] Free FFT_g_tab FFT_rot ( 0.028)

<02s> [M 0.070 Gb] Free FFT_g_tab FFT_rot ( 0.028)

<03s> [M 0.070 Gb] Free FFT_g_tab FFT_rot ( 0.028)

<04s> [M 0.070 Gb] Free FFT_g_tab FFT_rot ( 0.028)

<04s> [M 0.070 Gb] Free FFT_g_tab FFT_rot ( 0.028)

<05s> [M 0.070 Gb] Free FFT_g_tab FFT_rot ( 0.028)

<06s> Spinor-factor |################# | [044%] 05s(E) 11s(X)

<06s> [M 0.070 Gb] Free FFT_g_tab FFT_rot ( 0.028)

<07s> [M 0.070 Gb] Free FFT_g_tab FFT_rot ( 0.028)

<08s> [M 0.070 Gb] Free FFT_g_tab FFT_rot ( 0.028)

<08s> [M 0.070 Gb] Free FFT_g_tab FFT_rot ( 0.028)

<09s> [M 0.070 Gb] Free FFT_g_tab FFT_rot ( 0.028)

<10s> [M 0.070 Gb] Free FFT_g_tab FFT_rot ( 0.028)

<10s> [M 0.070 Gb] Free FFT_g_tab FFT_rot ( 0.028)

<12s> Spinor-factor |########################################| [100%] 10s(E) 10s(X)

<12s> [M 0.098 Gb] Free WF ( 0.038)

<12s> [M 0.070 Gb] Free FFT_g_tab FFT_rot ( 0.028)

<12s> Magn-factor | | [000%] --(E) --(X)

<12s> [M 0.098 Gb] Alloc FFT_rot ( 0.028)

<12s> [M 0.136 Gb] Alloc WF ( 0.038)

<12s> [M 0.203 Gb] Alloc wf_disk ( 0.064)

<12s> [M 0.070 Gb] Free FFT_g_tab FFT_rot ( 0.028)

<13s> [M 0.070 Gb] Free FFT_g_tab FFT_rot ( 0.028)

<14s> [M 0.070 Gb] Free FFT_g_tab FFT_rot ( 0.028)

<14s> [M 0.070 Gb] Free FFT_g_tab FFT_rot ( 0.028)

<15s> [M 0.070 Gb] Free FFT_g_tab FFT_rot ( 0.028)

<16s> [M 0.070 Gb] Free FFT_g_tab FFT_rot ( 0.028)

<17s> Magn-factor |################# | [044%] 05s(E) 11s(X)

<17s> [M 0.070 Gb] Free FFT_g_tab FFT_rot ( 0.028)

<18s> [M 0.070 Gb] Free FFT_g_tab FFT_rot ( 0.028)

<18s> [M 0.070 Gb] Free FFT_g_tab FFT_rot ( 0.028)

<19s> [M 0.070 Gb] Free FFT_g_tab FFT_rot ( 0.028)

<20s> [M 0.070 Gb] Free FFT_g_tab FFT_rot ( 0.028)

<20s> [M 0.070 Gb] Free FFT_g_tab FFT_rot ( 0.028)

<21s> [M 0.070 Gb] Free FFT_g_tab FFT_rot ( 0.028)

<22s> Magn-factor |########################################| [100%] 10s(E) 10s(X)

<22s> [M 0.098 Gb] Free WF ( 0.038)

<22s> [M 0.070 Gb] Free FFT_g_tab FFT_rot ( 0.028)

<22s> [SPN] Kpts covered exactly [o/o]: 12.98701

<22s> [Interpolate] Nighbours : 1

<22s> [Interpolate] Kpts covered [o/o]: 87.01299

<22s> [SPN] Kpts covered exactly [o/o]: 12.98701

<22s> [Interpolate] Nighbours : 1

<22s> [Interpolate] Kpts covered [o/o]: 87.01299

<22s> [MAG] Kpts covered exactly [o/o]: 12.98701

<22s> [Interpolate] Nighbours : 1

<22s> [Interpolate] Kpts covered [o/o]: 87.01299

<22s> [MAG] Kpts covered exactly [o/o]: 12.98701

<22s> [Interpolate] Nighbours : 1

<22s> [Interpolate] Kpts covered [o/o]: 87.01299

<22s> [MAG] Kpts covered exactly [o/o]: 12.98701

<22s> [Interpolate] Nighbours : 1

<22s> [Interpolate] Kpts covered [o/o]: 87.01299Segmentation fault

I hope you can offer some suggestions. Thank you

Best regards

Tianshu Li

Jilin University