ABINIT Discussion Forums
The meeting place for ABINIT users and developers
Input file
-
- Announcements
- Replies
- Views
- Last post
-
- Marking answers for solved issues
by pouillon » Fri Aug 09, 2013 12:56 pm - 0 Replies
- 41335 Views
- Last post by pouillon
Fri Aug 09, 2013 12:56 pm
- Marking answers for solved issues
-
- Topics
- Replies
- Views
- Last post
-
- DOS of Alp using the tetrahedron method
by domakani » Tue Oct 08, 2019 7:51 pm
- 1 Replies
- 25 Views
- Last post by NPike
Tue Oct 15, 2019 4:33 pm
- DOS of Alp using the tetrahedron method
-
- Heusler compounds
by hameed1987 » Sun Aug 25, 2019 3:37 pm - 1 Replies
- 50 Views
- Last post by NPike
Mon Oct 07, 2019 6:29 pm
- Heusler compounds
-
- Band Structure for Cds
by hameed1987 » Thu Aug 29, 2019 11:43 am
- 1 Replies
- 72 Views
- Last post by NPike
Mon Oct 07, 2019 6:27 pm
- Band Structure for Cds
-
- Chksymbreak=1 error though structure is symmetric
by sbphys » Fri Sep 13, 2019 7:21 pm - 1 Replies
- 27 Views
- Last post by NPike
Mon Oct 07, 2019 6:21 pm
- Chksymbreak=1 error though structure is symmetric
-
- Changing the orientation of the unit cell
by Hola » Mon Jul 22, 2019 8:20 pm - 2 Replies
- 118 Views
- Last post by Hola
Thu Aug 29, 2019 12:56 am
- Changing the orientation of the unit cell
-
- The understanding of `occ` variable
by skyair » Sun Aug 11, 2019 11:19 am - 1 Replies
- 99 Views
- Last post by gonze
Wed Aug 21, 2019 2:51 pm
- The understanding of `occ` variable
-
- Zeemanfield+spin-orbit
by sbphys » Mon Aug 19, 2019 8:57 pm - 0 Replies
- 61 Views
- Last post by sbphys
Mon Aug 19, 2019 8:57 pm
- Zeemanfield+spin-orbit
-
- Structure optimisation stops [SOLVED]
by wojtek » Sun Jul 07, 2019 11:45 am
- 3 Replies
- 228 Views
- Last post by wojtek
Wed Aug 14, 2019 8:19 am
- Structure optimisation stops [SOLVED]
-
- Work function of TiN(111)
by N.Suzuki » Fri Aug 09, 2019 9:11 am
- 0 Replies
- 97 Views
- Last post by N.Suzuki
Fri Aug 09, 2019 9:11 am
- Work function of TiN(111)
-
- input file foroptimization
by hameed1987 » Mon Jul 29, 2019 1:34 pm
- 5 Replies
- 241 Views
- Last post by ebousquet
Wed Aug 07, 2019 9:03 pm
- input file foroptimization
-
- Cs2AgBiCl6 structural optimizati under pressure boxcut error
by erichyang » Mon Jul 22, 2019 8:09 am
- 3 Replies
- 170 Views
- Last post by ebousquet
Mon Aug 05, 2019 10:38 am
- Cs2AgBiCl6 structural optimizati under pressure boxcut error
-
- Qualitative Difference from VASP for Perovskites
by jleehand » Tue Jul 30, 2019 7:02 pm
- 2 Replies
- 134 Views
- Last post by ebousquet
Wed Jul 31, 2019 5:45 pm
- Qualitative Difference from VASP for Perovskites
-
- input file for tutorial 3
by hameed1987 » Tue Jul 23, 2019 8:39 pm
- 2 Replies
- 142 Views
- Last post by hameed1987
Thu Jul 25, 2019 8:34 pm
- input file for tutorial 3
-
- Input File for Zinc Blende [SOLVED]
by hameed1987 » Mon Jul 22, 2019 9:29 am - 2 Replies
- 158 Views
- Last post by hameed1987
Tue Jul 23, 2019 12:43 pm
- Input File for Zinc Blende [SOLVED]
-
- State of hybrid functionals? (B3LYP and HSE06)
by fhssn1 » Thu Jul 04, 2019 12:48 am - 1 Replies
- 131 Views
- Last post by fhssn1
Thu Jul 04, 2019 9:23 pm
- State of hybrid functionals? (B3LYP and HSE06)
-
- Progressive worsening of SCF convergence [SOLVED]
by mstengel » Thu Jun 20, 2019 12:57 pm
- 3 Replies
- 282 Views
- Last post by mstengel
Mon Jul 01, 2019 5:10 pm
- Progressive worsening of SCF convergence [SOLVED]
-
- increasing force and stress after optimization
by shima123 » Tue Jun 11, 2019 12:51 pm - 3 Replies
- 277 Views
- Last post by ebousquet
Fri Jun 28, 2019 6:43 pm
- increasing force and stress after optimization
-
- Fixed Angle structural optimization [SOLVED]
by jlwindy » Mon Apr 29, 2019 3:00 pm - 2 Replies
- 304 Views
- Last post by jlwindy
Mon Jun 17, 2019 2:20 pm
- Fixed Angle structural optimization [SOLVED]
-
- Convergence of SCF cycle gets worse and worse
by jhr0311 » Wed Jun 05, 2019 6:53 pm - 5 Replies
- 349 Views
- Last post by pomax
Fri Jun 14, 2019 8:58 pm
- Convergence of SCF cycle gets worse and worse
-
- Some questions about slab calculations [SOLVED]
by domakani » Tue Feb 26, 2019 6:56 pm
- 8 Replies
- 787 Views
- Last post by domakani
Wed Jun 12, 2019 2:46 pm
- Some questions about slab calculations [SOLVED]
-
- Non-orthogonal Constrained Lattice Optimization
by aohara1986 » Tue Jun 11, 2019 7:32 pm - 0 Replies
- 140 Views
- Last post by aohara1986
Tue Jun 11, 2019 7:32 pm
- Non-orthogonal Constrained Lattice Optimization
-
- String Calculation issue with pawovlp [SOLVED]
by ketong » Wed May 08, 2019 4:16 am
- 5 Replies
- 498 Views
- Last post by ebousquet
Wed May 15, 2019 4:57 pm
- String Calculation issue with pawovlp [SOLVED]
-
- Wrong DOS plot of graphene
by Seba Darshan » Sat Aug 01, 2015 11:08 am
- 5 Replies
- 1756 Views
- Last post by ebousquet
Sat May 11, 2019 8:33 am
- Wrong DOS plot of graphene
-
- Structural optimization
by jlwindy » Fri Apr 12, 2019 1:33 pm - 3 Replies
- 420 Views
- Last post by ebousquet
Fri May 10, 2019 10:33 pm
- Structural optimization
-
- Again issue with pawovlp
by woffermans » Wed Dec 05, 2018 3:16 pm - 8 Replies
- 993 Views
- Last post by ketong
Wed May 08, 2019 3:47 am
- Again issue with pawovlp
Who is online
Users browsing this forum: No registered users and 5 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