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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

3895 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

2540 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

3480 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

2644 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

2744 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

4568 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

4037 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

8383 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

5127 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

4249 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

4618 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

4824 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

7669 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

6576 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

6377 Views

Last post by pkroll
Tue Jun 23, 2009 1:56 am
Nonconverging electronic minimization for specific magnetic systems

Last post by pkroll « Tue Jun 23, 2009 1:35 am
Replies: 3
by alexeydick » Sun May 10, 2009 6:16 pm

3 Replies

5206 Views

Last post by pkroll
Tue Jun 23, 2009 1:35 am
VASP 4.6 Error in IBZKPT: KPT>NKDIM

Last post by admin « Mon Jun 22, 2009 9:51 am
Replies: 1
by dlonie » Wed Jun 17, 2009 11:23 pm

1 Replies

5105 Views

Last post by admin
Mon Jun 22, 2009 9:51 am
VASP 5.2 and CONTCAR files

Last post by metosa « Sun Jun 14, 2009 1:41 pm
Replies: 1
by metosa » Mon May 25, 2009 1:59 pm

1 Replies

3981 Views

Last post by metosa
Sun Jun 14, 2009 1:41 pm
VASP 5.2.2 Seg Faults on some problems

Last post by d-farrell2 « Thu Jun 11, 2009 7:13 pm
Replies: 2
by d-farrell2 » Thu Jun 11, 2009 7:09 pm

2 Replies

3653 Views

Last post by d-farrell2
Thu Jun 11, 2009 7:13 pm
fatal internal in brackting...

Last post by cylee « Fri May 29, 2009 9:21 pm
Replies: 13
by Danny » Mon Oct 22, 2007 4:16 pm

13 Replies

10628 Views

Last post by cylee
Fri May 29, 2009 9:21 pm

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