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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

3168 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

10159 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

5121 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

2839 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

3818 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

4065 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

2662 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

3631 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

2821 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

3141 Views

Last post by admin
Mon Oct 12, 2009 9:29 am
VASP 5.2.2 Segfault For "Large" Systems

Last post by forsdan « Thu Sep 10, 2009 12:05 am
Replies: 3
by tommy91779 » Tue Sep 08, 2009 12:33 pm

3 Replies

4736 Views

Last post by forsdan
Thu Sep 10, 2009 12:05 am
Parallel performance of vasp over Gbit ethernet

Last post by forsdan « Sun Aug 16, 2009 9:49 am
Replies: 3
by cpp6f » Wed Aug 12, 2009 4:07 pm

3 Replies

4260 Views

Last post by forsdan
Sun Aug 16, 2009 9:49 am
Error in output file - WARNING: random wavefunctions but no delay for mixing, default for NELMDL

Last post by bhaskarchilukuri « Tue Aug 04, 2009 8:33 pm
Replies: 2
by bhaskarchilukuri » Mon Aug 03, 2009 3:52 pm

2 Replies

8730 Views

Last post by bhaskarchilukuri
Tue Aug 04, 2009 8:33 pm
k-points atomatic generation

Last post by asija « Mon Jul 27, 2009 9:56 am
Replies: 6
by asija » Tue Jul 21, 2009 11:10 am

6 Replies

5387 Views

Last post by asija
Mon Jul 27, 2009 9:56 am
Charge Vacancy Calculation Error

Last post by admin « Fri Jul 17, 2009 11:58 am
Replies: 1
by tommy91779 » Wed Jun 24, 2009 5:08 pm

1 Replies

4395 Views

Last post by admin
Fri Jul 17, 2009 11:58 am
Clarification of the Total Energy Components in the OUTCAR

Last post by Modey3 « Thu Jul 16, 2009 12:04 pm
Replies: 2
by Modey3 » Thu Jul 16, 2009 1:35 am

2 Replies

4817 Views

Last post by Modey3
Thu Jul 16, 2009 12:04 pm
The distance between some ions is very small

Last post by forsdan « Wed Jul 08, 2009 1:10 pm
Replies: 3
by mcosta » Thu Nov 13, 2008 10:20 pm

3 Replies

5023 Views

Last post by forsdan
Wed Jul 08, 2009 1:10 pm
KMP_stacksize problem...help me please

Last post by komsa « Thu Jul 02, 2009 8:19 pm
Replies: 7
by baolkvn » Tue Feb 26, 2008 8:50 am

7 Replies

8004 Views

Last post by komsa
Thu Jul 02, 2009 8:19 pm
NELECT and Converged Integrated DOS Not the Same

Last post by Modey3 « Mon Jun 29, 2009 4:31 pm
Replies: 6
by Modey3 » Sat Jun 27, 2009 1:05 pm

6 Replies

6851 Views

Last post by Modey3
Mon Jun 29, 2009 4:31 pm
scaling

Last post by pkroll « Tue Jun 23, 2009 1:56 am
Replies: 7
by martonak » Wed Jun 10, 2009 3:05 pm

7 Replies

6697 Views

Last post by pkroll
Tue Jun 23, 2009 1:56 am

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