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GW approximation
Posted: Fri Jan 08, 2016 1:09 am
by Reving
Hello everyone,
Can any one tell me away of using GW method on the indirect compounds ,
cause I'm not sure if GW approx os working for the indirect compounds,,,,
Re: GW approximation
Posted: Sun Jan 17, 2016 5:14 am
by raul_l
You mean indirect band gap? Yes. It has no preference over direct vs indirect gap.
Re: GW approximation
Posted: Tue Jun 07, 2016 11:59 am
by mostafaabd
hi
--- !ERROR
message: |
G-shell not closed
Initial G vector 2898/ 2957 2 -7 1 Rotated G vector -2 7 -1
Through sym 1 and itim 2
src_file: m_gsphere.F90
src_line: 256
...
#0 0x7F06FB3BAE08
#1 0x11044E8 in __m_errors_MOD_show_backtrace at m_errors.F90:951
#2 0xCB7257 in setup_g_rotation at m_gsphere.F90:256
#3 0x76D211 in setup_screening_ at setup_screening.F90:387
#4 0x44FFC9 in screening_ at screening.F90:316
#5 0x41FD64 in driver_ at driver.F90:660
#6 0x4130D6 in MAIN__ at abinit.F90:460
leave_new : decision taken to exit ...
wath is problem
Re: GW approximation
Posted: Wed Sep 07, 2016 6:53 pm
by maxim
hi
use input from tutorial, like tgw1_9.in and edit it
bests, Maxim