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Marking answers for solved issues

Last post by pouillon « Fri Aug 09, 2013 12:56 pm
Posted in Configuring and compiling ABINIT

by pouillon » Fri Aug 09, 2013 12:56 pm » in Configuring and compiling ABINIT
This topic was posted 4060 days ago

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Last post by pouillon
Fri Aug 09, 2013 12:56 pm

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The violation of the charge neutrality conditions

Last post by ebousquet « Mon Aug 05, 2019 10:39 am
Replies: 1
by MasoudMS » Sat Aug 03, 2019 9:25 pm
This topic was posted 1875 days ago

1 Replies

2228 Views

Last post by ebousquet
Mon Aug 05, 2019 10:39 am
Cs2AgBiCl6 structural optimizati under pressure boxcut error

Last post by ebousquet « Mon Aug 05, 2019 10:38 am
Replies: 3
by erichyang » Mon Jul 22, 2019 8:09 am
This topic was posted 1887 days ago

3 Replies

3116 Views

Last post by ebousquet
Mon Aug 05, 2019 10:38 am
Qualitative Difference from VASP for Perovskites

Last post by ebousquet « Wed Jul 31, 2019 5:45 pm
Replies: 2
by jleehand » Tue Jul 30, 2019 7:02 pm
This topic was posted 1879 days ago

2 Replies

3087 Views

Last post by ebousquet
Wed Jul 31, 2019 5:45 pm
input file for tutorial 3

Last post by hameed1987 « Thu Jul 25, 2019 8:34 pm
Replies: 2
by hameed1987 » Tue Jul 23, 2019 8:39 pm
This topic was posted 1886 days ago

2 Replies

2553 Views

Last post by hameed1987
Thu Jul 25, 2019 8:34 pm
Input File for Zinc Blende [SOLVED]

Last post by hameed1987 « Tue Jul 23, 2019 12:43 pm
Replies: 2
by hameed1987 » Mon Jul 22, 2019 9:29 am
This topic was posted 1887 days ago

2 Replies

3509 Views

Last post by hameed1987
Tue Jul 23, 2019 12:43 pm
Possible bug when running DFT+U calculations

Last post by amadon « Mon Jul 15, 2019 3:45 pm
Replies: 2
by kalkm1 » Tue Jul 02, 2019 7:09 pm
This topic was posted 1907 days ago

2 Replies

3109 Views

Last post by amadon
Mon Jul 15, 2019 3:45 pm
State of hybrid functionals? (B3LYP and HSE06)

Last post by fhssn1 « Thu Jul 04, 2019 9:23 pm
Replies: 1
by fhssn1 » Thu Jul 04, 2019 12:48 am
This topic was posted 1906 days ago

1 Replies

2380 Views

Last post by fhssn1
Thu Jul 04, 2019 9:23 pm
Progressive worsening of SCF convergence [SOLVED]

Last post by mstengel « Mon Jul 01, 2019 5:10 pm
Replies: 3
by mstengel » Thu Jun 20, 2019 12:57 pm
This topic was posted 1919 days ago

3 Replies

4646 Views

Last post by mstengel
Mon Jul 01, 2019 5:10 pm
increasing force and stress after optimization

Last post by ebousquet « Fri Jun 28, 2019 6:43 pm
Replies: 3
by shima123 » Tue Jun 11, 2019 12:51 pm
This topic was posted 1928 days ago

3 Replies

3194 Views

Last post by ebousquet
Fri Jun 28, 2019 6:43 pm
use of CAM-B3lyp via Libxc

Last post by zww4855 « Tue Jun 18, 2019 3:58 pm
Replies: 2
by zww4855 » Sun Jun 09, 2019 4:15 pm
This topic was posted 1930 days ago

2 Replies

3678 Views

Last post by zww4855
Tue Jun 18, 2019 3:58 pm
Fixed Angle structural optimization [SOLVED]

Last post by jlwindy « Mon Jun 17, 2019 2:20 pm
Replies: 2
by jlwindy » Mon Apr 29, 2019 3:00 pm
This topic was posted 1971 days ago

2 Replies

3914 Views

Last post by jlwindy
Mon Jun 17, 2019 2:20 pm
Convergence of SCF cycle gets worse and worse

Last post by pomax « Fri Jun 14, 2019 8:58 pm
Replies: 5
by jhr0311 » Wed Jun 05, 2019 6:53 pm
This topic was posted 1934 days ago

5 Replies

4570 Views

Last post by pomax
Fri Jun 14, 2019 8:58 pm
Some questions about slab calculations [SOLVED]

Last post by domakani « Wed Jun 12, 2019 2:46 pm
Replies: 8
by domakani » Tue Feb 26, 2019 5:56 pm
This topic was posted 2033 days ago

8 Replies

7160 Views

Last post by domakani
Wed Jun 12, 2019 2:46 pm
Non-orthogonal Constrained Lattice Optimization

Last post by aohara1986 « Tue Jun 11, 2019 7:32 pm

by aohara1986 » Tue Jun 11, 2019 7:32 pm
This topic was posted 1928 days ago

0 Replies

2814 Views

Last post by aohara1986
Tue Jun 11, 2019 7:32 pm
electrical conductivity in different crystalline planes

Last post by mdsimulationgroup « Thu May 23, 2019 2:44 pm

by mdsimulationgroup » Thu May 23, 2019 2:44 pm
This topic was posted 1947 days ago

0 Replies

2805 Views

Last post by mdsimulationgroup
Thu May 23, 2019 2:44 pm
String Calculation issue with pawovlp [SOLVED]

Last post by ebousquet « Wed May 15, 2019 4:57 pm
Replies: 5
by ketong » Wed May 08, 2019 4:16 am
This topic was posted 1962 days ago

5 Replies

5427 Views

Last post by ebousquet
Wed May 15, 2019 4:57 pm
Wrong DOS plot of graphene

Last post by ebousquet « Sat May 11, 2019 8:33 am
Replies: 5
by Seba Darshan » Sat Aug 01, 2015 11:08 am
This topic was posted 3338 days ago

5 Replies

5832 Views

Last post by ebousquet
Sat May 11, 2019 8:33 am
Structural optimization

Last post by ebousquet « Fri May 10, 2019 10:33 pm
Replies: 3
by jlwindy » Fri Apr 12, 2019 1:33 pm
This topic was posted 1988 days ago

3 Replies

3437 Views

Last post by ebousquet
Fri May 10, 2019 10:33 pm
Again issue with pawovlp

Last post by ketong « Wed May 08, 2019 3:47 am
Replies: 8
by woffermans » Wed Dec 05, 2018 2:16 pm
This topic was posted 2116 days ago

8 Replies

6552 Views

Last post by ketong
Wed May 08, 2019 3:47 am
String Calculation Visualisation of Images

Last post by ketong « Wed May 08, 2019 3:31 am
Replies: 1
by woffermans » Thu Jan 10, 2019 9:12 am
This topic was posted 2080 days ago

1 Replies

2761 Views

Last post by ketong
Wed May 08, 2019 3:31 am
Improving calculation performance?

Last post by ketong « Tue Apr 30, 2019 4:33 am
Replies: 17
by ryne60 » Thu Dec 06, 2018 9:55 am
This topic was posted 2115 days ago

17 Replies

13868 Views

Last post by ketong
Tue Apr 30, 2019 4:33 am
Strange spin-component DOS with spin-orbit coupling

Last post by JunqingXu « Sun Apr 14, 2019 2:51 am

by JunqingXu » Sun Apr 14, 2019 2:51 am
This topic was posted 1987 days ago

0 Replies

3017 Views

Last post by JunqingXu
Sun Apr 14, 2019 2:51 am
Different etotal when using multiple nodes

Last post by Cryst « Tue Apr 09, 2019 8:39 pm
Replies: 2
by mdsimulationgroup » Wed Feb 27, 2019 11:16 am
This topic was posted 2032 days ago

2 Replies

2846 Views

Last post by Cryst
Tue Apr 09, 2019 8:39 pm
Wrong lifetime of Positron in layered material

Last post by ZhishuoHuang « Mon Apr 08, 2019 2:51 pm
Replies: 2
by ZhishuoHuang » Wed Mar 27, 2019 11:31 am
This topic was posted 2004 days ago

2 Replies

3039 Views

Last post by ZhishuoHuang
Mon Apr 08, 2019 2:51 pm
Problems with convergence of wide ribbons

Last post by ebousquet « Tue Apr 02, 2019 4:46 pm
Replies: 3
by CHILL » Thu Mar 28, 2019 4:51 pm
This topic was posted 2003 days ago

3 Replies

3092 Views

Last post by ebousquet
Tue Apr 02, 2019 4:46 pm

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