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A convergence problem with Al and Al alloys

Last post by alex « Tue Dec 22, 2009 11:59 am
Replies: 1
by riche » Mon Dec 21, 2009 9:38 pm

1 Replies

5200 Views

Last post by alex
Tue Dec 22, 2009 11:59 am
Accurately Modeling STM dI/dV Spectra

Last post by mrm « Sun Dec 20, 2009 9:47 pm
Replies: 2
by mrm » Tue Nov 03, 2009 1:28 am

2 Replies

7952 Views

Last post by mrm
Sun Dec 20, 2009 9:47 pm
SIGSEGV, segmentation fault occurred

Last post by zyyin « Sun Dec 13, 2009 1:24 pm
Replies: 1
by zyyin » Sun Dec 13, 2009 12:31 pm

1 Replies

7235 Views

Last post by zyyin
Sun Dec 13, 2009 1:24 pm
LEPSILON with gamma point VASP

Last post by admin « Mon Dec 07, 2009 8:27 am
Replies: 3
by tholme » Mon Nov 30, 2009 11:34 pm

3 Replies

8509 Views

Last post by admin
Mon Dec 07, 2009 8:27 am
system-shutdown; contact gK immediately

Last post by lyon0100 « Mon Dec 07, 2009 12:17 am
Replies: 3
by lahaye » Sat Jul 01, 2006 12:48 am

3 Replies

10299 Views

Last post by lyon0100
Mon Dec 07, 2009 12:17 am
Supercell Energy Scaling

Last post by dpsi « Tue Dec 01, 2009 3:21 pm
Replies: 2
by dpsi » Thu Nov 05, 2009 9:42 am

2 Replies

8192 Views

Last post by dpsi
Tue Dec 01, 2009 3:21 pm
Calculate self-energy corrections for specific bands in GW calculation

Last post by admin « Mon Nov 30, 2009 10:34 am
Replies: 1
by itamblyn » Tue Oct 20, 2009 12:14 am

1 Replies

6676 Views

Last post by admin
Mon Nov 30, 2009 10:34 am
Poblem in CHGCAR and WAVECAR

Last post by yinwei_li « Tue Nov 17, 2009 11:03 am
Replies: 8
by Yeneneh » Mon Jan 23, 2006 1:03 pm

8 Replies

29052 Views

Last post by yinwei_li
Tue Nov 17, 2009 11:03 am
changing kpoints

Last post by tholme « Tue Nov 10, 2009 11:40 pm
Replies: 2
by tholme » Wed Oct 28, 2009 5:41 pm

2 Replies

7626 Views

Last post by tholme
Tue Nov 10, 2009 11:40 pm
Warning :The distance between some ions is very small

Last post by sabmaj « Fri Nov 06, 2009 2:43 pm
Replies: 2
by sabmaj » Thu Nov 05, 2009 6:58 pm

2 Replies

9513 Views

Last post by sabmaj
Fri Nov 06, 2009 2:43 pm
atomic energy

Last post by forsdan « Sun Oct 18, 2009 8:16 am
Replies: 1
by D.H.Tang » Sat Oct 17, 2009 8:40 am

1 Replies

5801 Views

Last post by forsdan
Sun Oct 18, 2009 8:16 am
WARNING: Sub-Space-Matrix is not hermitian in DAV

Last post by admin « Mon Oct 12, 2009 12:04 pm
Replies: 1
by dcosta » Mon Jul 27, 2009 8:39 am

1 Replies

14502 Views

Last post by admin
Mon Oct 12, 2009 12:04 pm
Spin Orbit Coupling in VASP

Last post by admin « Mon Oct 12, 2009 11:49 am
Replies: 1
by slgupta » Mon Aug 10, 2009 1:03 pm

1 Replies

7751 Views

Last post by admin
Mon Oct 12, 2009 11:49 am
parallel VASP hangs with PAW pp

Last post by admin « Mon Oct 12, 2009 11:36 am
Replies: 1
by sridevi » Tue Aug 18, 2009 8:39 pm

1 Replies

5397 Views

Last post by admin
Mon Oct 12, 2009 11:36 am
Strange energy curve

Last post by admin « Mon Oct 12, 2009 11:25 am
Replies: 4
by yjwang » Tue Aug 18, 2009 8:31 am

4 Replies

8137 Views

Last post by admin
Mon Oct 12, 2009 11:25 am
MPI error when running NEB; but no error w/ energy opt

Last post by admin « Mon Oct 12, 2009 11:06 am
Replies: 2
by cylee » Thu Aug 20, 2009 4:35 pm

2 Replies

7505 Views

Last post by admin
Mon Oct 12, 2009 11:06 am
CG scaled line search

Last post by admin « Mon Oct 12, 2009 10:44 am
Replies: 1
by mff7d » Wed Sep 02, 2009 6:20 pm

1 Replies

5531 Views

Last post by admin
Mon Oct 12, 2009 10:44 am
WAVECAR in ASCII

Last post by admin « Mon Oct 12, 2009 10:39 am
Replies: 2
by nvmedhekar » Mon Aug 24, 2009 7:26 pm

2 Replies

6610 Views

Last post by admin
Mon Oct 12, 2009 10:39 am
CONTCAR and CHGCAR fractional coordinate mismatch

Last post by admin « Mon Oct 12, 2009 10:37 am
Replies: 1
by zhangyg » Tue Sep 15, 2009 6:05 am

1 Replies

5533 Views

Last post by admin
Mon Oct 12, 2009 10:37 am
convergence not achieved

Last post by admin « Mon Oct 12, 2009 9:29 am
Replies: 1
by Isha » Wed Sep 16, 2009 11:24 am

1 Replies

5917 Views

Last post by admin
Mon Oct 12, 2009 9:29 am

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