ABINIT Discussion Forums
The meeting place for ABINIT users and developers
Response calculations
-
- Announcements
- Replies
- Views
- Last post
-
- Marking answers for solved issues
by pouillon » Fri Aug 09, 2013 12:56 pm - 0 Replies
- 40907 Views
- Last post by pouillon
Fri Aug 09, 2013 12:56 pm
- Marking answers for solved issues
-
- Topics
- Replies
- Views
- Last post
-
- The violation of the charge neutrality conditions
by MasoudMS » Sat Aug 03, 2019 9:31 pm
- 2 Replies
- 68 Views
- Last post by MasoudMS
Fri Aug 09, 2019 9:44 pm
- The violation of the charge neutrality conditions
-
- How to define rfdir, tolwfr, tolvrs for a slab?
by elia » Fri Jul 05, 2019 7:08 pm - 2 Replies
- 113 Views
- Last post by elia
Sat Jul 13, 2019 3:05 pm
- How to define rfdir, tolwfr, tolvrs for a slab?
-
- Thermal conductivity
by Aiswarya Samal » Mon Jul 01, 2019 6:53 am - 0 Replies
- 78 Views
- Last post by Aiswarya Samal
Mon Jul 01, 2019 6:53 am
- Thermal conductivity
-
- getcell does not get correct values in RF calculations
by Robin » Wed Oct 20, 2010 6:33 am
- 3 Replies
- 2457 Views
- Last post by jzwanzig
Thu Jun 20, 2019 3:11 pm
- getcell does not get correct values in RF calculations
-
- Calculation of flexoelectric constants in abinit
by akent3096 » Mon Jun 17, 2019 7:51 pm - 1 Replies
- 127 Views
- Last post by ebousquet
Tue Jun 18, 2019 12:15 pm
- Calculation of flexoelectric constants in abinit
-
- Electrical conductivity tutorial?
by mdsimulationgroup » Tue Jun 11, 2019 1:15 pm - 0 Replies
- 103 Views
- Last post by mdsimulationgroup
Tue Jun 11, 2019 1:15 pm
- Electrical conductivity tutorial?
-
- GaN phonon (Phonons in Wurtzite structure )
by t.marinheiro » Tue May 21, 2019 1:11 pm
- 1 Replies
- 161 Views
- Last post by ebousquet
Thu Jun 06, 2019 9:47 am
- GaN phonon (Phonons in Wurtzite structure )
-
- Tutorial on optical properties [SOLVED]
by wwlphys » Sat May 25, 2019 3:43 am
- 1 Replies
- 185 Views
- Last post by wwlphys
Sat Jun 01, 2019 8:28 am
- Tutorial on optical properties [SOLVED]
-
- Wrong Berry phase with LOBPCG
by antonio » Mon Mar 25, 2019 6:53 pm
- 3 Replies
- 347 Views
- Last post by antonio
Tue May 28, 2019 3:21 pm
- Wrong Berry phase with LOBPCG
-
- Temperature-dependent band structure + density of states
by ashipley » Tue May 28, 2019 12:32 pm - 0 Replies
- 92 Views
- Last post by ashipley
Tue May 28, 2019 12:32 pm
- Temperature-dependent band structure + density of states
-
- electrical conductivity in different crystalline planes
by mdsimulationgroup » Thu May 23, 2019 2:44 pm - 0 Replies
- 90 Views
- Last post by mdsimulationgroup
Thu May 23, 2019 2:44 pm
- electrical conductivity in different crystalline planes
-
- Elastic properties
by new_986 » Sun Jul 29, 2018 8:42 am - 7 Replies
- 2495 Views
- Last post by ebousquet
Fri May 10, 2019 10:26 pm
- Elastic properties
-
- Lattice Wannier functions from the previous versions
by cwmyung » Fri Apr 19, 2019 4:31 pm - 1 Replies
- 197 Views
- Last post by ebousquet
Fri Apr 26, 2019 7:55 am
- Lattice Wannier functions from the previous versions
-
- eph calcualtion of hexagonal graphene
by Aiswarya Samal » Mon Apr 01, 2019 2:55 pm
- 2 Replies
- 282 Views
- Last post by Aiswarya Samal
Wed Apr 03, 2019 1:13 pm
- eph calcualtion of hexagonal graphene
-
- IFC and unit of freq in PHDOS
by ganck » Wed Feb 13, 2019 12:41 pm - 3 Replies
- 352 Views
- Last post by mverstra
Mon Apr 01, 2019 1:54 pm
- IFC and unit of freq in PHDOS
-
- ANADDB calculation of silicon
by Aiswarya Samal » Tue Mar 26, 2019 12:08 pm
- 3 Replies
- 259 Views
- Last post by mverstra
Wed Mar 27, 2019 4:09 pm
- ANADDB calculation of silicon
-
- parallel berryopt -1 crashing with more than one node
by antonio » Wed Dec 05, 2018 6:02 pm
- 17 Replies
- 1737 Views
- Last post by ebousquet
Fri Mar 22, 2019 5:58 pm
- parallel berryopt -1 crashing with more than one node
-
- Sudden break of running task with error not source code file [SOLVED]
by letuan » Fri Mar 15, 2019 6:40 am - 1 Replies
- 197 Views
- Last post by letuan
Fri Mar 15, 2019 8:22 am
- Sudden break of running task with error not source code file [SOLVED]
-
- Kxc not implemented for GGA!
by woffermans » Tue Nov 27, 2018 5:34 pm
- 10 Replies
- 1142 Views
- Last post by woffermans
Thu Jan 31, 2019 11:07 am
- Kxc not implemented for GGA!
-
- ARPES spectra from electron-phonon calculation
by chrisewolf » Sun Jan 06, 2019 5:05 am - 0 Replies
- 238 Views
- Last post by chrisewolf
Sun Jan 06, 2019 5:05 am
- ARPES spectra from electron-phonon calculation
-
- Structure optimization [SOLVED]
by kiran » Sat Apr 15, 2017 10:24 am
- 3 Replies
- 899 Views
- Last post by kiran
Thu Dec 20, 2018 10:01 am
- Structure optimization [SOLVED]
-
- RF calculation (iscf=-3) is very slow...
by Hiroki » Sun Dec 09, 2018 9:55 am
- 1 Replies
- 381 Views
- Last post by ebousquet
Fri Dec 14, 2018 5:25 pm
- RF calculation (iscf=-3) is very slow...
-
- DDB file does not contain GS etotal
by gswylq » Sat Dec 01, 2018 11:28 am - 1 Replies
- 358 Views
- Last post by ebousquet
Wed Dec 05, 2018 11:08 am
- DDB file does not contain GS etotal
Who is online
Users browsing this forum: No registered users and 2 guests
Forum permissions
You cannot post new topics in this forum
You cannot reply to topics in this forum
You cannot edit your posts in this forum
You cannot delete your posts in this forum
You cannot post attachments in this forum