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Vasp 5.2.2 - serial compiled using PGI 6.1-1

Last post by support_vasp « Wed Sep 04, 2024 2:08 pm
Replies: 1
by pkroll » Tue Jun 02, 2009 12:54 pm

1 Replies

9073 Views

Last post by support_vasp
Wed Sep 04, 2024 2:08 pm
The "BASIC=" line in the makefiles for VASP

Last post by support_vasp « Wed Sep 04, 2024 2:07 pm
Replies: 1
by fish » Thu May 28, 2009 2:38 pm

1 Replies

8347 Views

Last post by support_vasp
Wed Sep 04, 2024 2:07 pm
POTIM flag

Last post by support_vasp « Wed Sep 04, 2024 2:07 pm
Replies: 1
by dmccalma » Tue May 19, 2009 8:46 pm

1 Replies

5839 Views

Last post by support_vasp
Wed Sep 04, 2024 2:07 pm
IDIPOL and LDIPOL for slab

Last post by support_vasp « Wed Sep 04, 2024 2:07 pm
Replies: 1
by mrm » Sun May 17, 2009 9:41 pm

1 Replies

6898 Views

Last post by support_vasp
Wed Sep 04, 2024 2:07 pm
Can we use two kinds of pseudopotential in one calculation?

Last post by support_vasp « Wed Sep 04, 2024 2:07 pm
Replies: 1
by sjtu » Thu May 14, 2009 4:50 am

1 Replies

5749 Views

Last post by support_vasp
Wed Sep 04, 2024 2:07 pm
How to set POTIM in molecular dynamics simulations

Last post by support_vasp « Wed Sep 04, 2024 2:07 pm
Replies: 1
by fegg7502 » Wed May 13, 2009 5:44 am

1 Replies

6017 Views

Last post by support_vasp
Wed Sep 04, 2024 2:07 pm
Strange results for: average (electrostatic) potential at core

Last post by support_vasp « Wed Sep 04, 2024 2:06 pm
Replies: 1
by hra » Fri Apr 17, 2009 9:14 am

1 Replies

7147 Views

Last post by support_vasp
Wed Sep 04, 2024 2:06 pm
non self-consistent DFT energies in VASP

Last post by support_vasp « Wed Sep 04, 2024 2:06 pm
Replies: 1
by gpkmohan » Tue Apr 14, 2009 12:08 pm

1 Replies

5823 Views

Last post by support_vasp
Wed Sep 04, 2024 2:06 pm
internal ERROR RSPHER:running out of buffer

Last post by support_vasp « Wed Sep 04, 2024 2:06 pm
Replies: 1
by duygu » Wed Mar 18, 2009 1:09 pm

1 Replies

7403 Views

Last post by support_vasp
Wed Sep 04, 2024 2:06 pm
Construct a supercell

Last post by support_vasp « Wed Sep 04, 2024 2:06 pm
Replies: 1
by ctwu » Tue Mar 17, 2009 6:26 am

1 Replies

6174 Views

Last post by support_vasp
Wed Sep 04, 2024 2:06 pm
Structure Optimization of PbTiO3

Last post by support_vasp « Wed Sep 04, 2024 2:06 pm
Replies: 1
by wjjlnrustb » Mon Mar 02, 2009 1:34 am

1 Replies

6941 Views

Last post by support_vasp
Wed Sep 04, 2024 2:06 pm
Running parallel vasp4.6.19

Last post by support_vasp « Wed Sep 04, 2024 2:05 pm
Replies: 1
by Vahid Askarpour » Thu Feb 12, 2009 1:35 am

1 Replies

5996 Views

Last post by support_vasp
Wed Sep 04, 2024 2:05 pm
scaLAPACK runtime error on Cray XT/CNL

Last post by support_vasp « Wed Sep 04, 2024 2:05 pm
Replies: 1
by borchert » Tue Feb 03, 2009 5:00 pm

1 Replies

6444 Views

Last post by support_vasp
Wed Sep 04, 2024 2:05 pm
help with handling error informatoin

Last post by support_vasp « Wed Sep 04, 2024 2:05 pm
Replies: 1
by zcyi » Thu Jan 29, 2009 1:17 pm

1 Replies

6069 Views

Last post by support_vasp
Wed Sep 04, 2024 2:05 pm
Some problems on running NEB

Last post by support_vasp « Wed Sep 04, 2024 2:05 pm
Replies: 1
by oliver_nwpu » Thu Dec 18, 2008 9:11 am

1 Replies

6259 Views

Last post by support_vasp
Wed Sep 04, 2024 2:05 pm
problems running on NERSC's Franklin post OS upgrade and recompile

Last post by support_vasp « Wed Sep 04, 2024 2:04 pm
Replies: 1
by tpennycook » Fri Dec 12, 2008 2:26 am

1 Replies

6419 Views

Last post by support_vasp
Wed Sep 04, 2024 2:04 pm
Vh[n_Zc]

Last post by support_vasp « Wed Sep 04, 2024 2:04 pm
Replies: 1
by minyu2 » Wed Nov 12, 2008 12:43 am

1 Replies

6248 Views

Last post by support_vasp
Wed Sep 04, 2024 2:04 pm
Could not find the PAW-pot for Mo metal.

Last post by support_vasp « Wed Sep 04, 2024 2:04 pm
Replies: 1
by xiaogai » Thu Sep 04, 2008 12:50 pm

1 Replies

6302 Views

Last post by support_vasp
Wed Sep 04, 2024 2:04 pm
segmentation fault -- IBRION=1 SIGSEV

Last post by support_vasp « Wed Sep 04, 2024 2:04 pm
Replies: 1
by piquini » Fri Aug 29, 2008 8:39 pm

1 Replies

6791 Views

Last post by support_vasp
Wed Sep 04, 2024 2:04 pm
VERY BAD NEWS! internal error in subroutine IBZKPT

Last post by support_vasp « Wed Sep 04, 2024 2:04 pm
Replies: 1
by chemofish » Thu Aug 28, 2008 5:21 am

1 Replies

7130 Views

Last post by support_vasp
Wed Sep 04, 2024 2:04 pm

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