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Possible bug in Na_sv PAW-PBE pseudopotential

Last post by jat255 « Wed Mar 02, 2011 11:18 pm
Replies: 2
by jat255 » Wed Mar 02, 2011 3:33 pm

2 Replies

7715 Views

Last post by jat255
Wed Mar 02, 2011 11:18 pm
ordering of eigen energies in HSE

Last post by superyoyo « Tue Mar 01, 2011 6:22 am
Replies: 3
by superyoyo » Tue Dec 14, 2010 12:52 am

3 Replies

7552 Views

Last post by superyoyo
Tue Mar 01, 2011 6:22 am
Excessive disk output in vasp.5.2.11

Last post by admin « Wed Feb 23, 2011 12:16 pm
Replies: 1
by tomic » Wed Feb 16, 2011 2:48 pm

1 Replies

5717 Views

Last post by admin
Wed Feb 23, 2011 12:16 pm
Two queries: 1. Broyden mixing, 2. EDIFF convergence

Last post by jlbettis « Fri Feb 11, 2011 2:14 am
Replies: 3
by bth20 » Tue Jul 12, 2005 9:56 am

3 Replies

12916 Views

Last post by jlbettis
Fri Feb 11, 2011 2:14 am
Restarting with constant basis set

Last post by tomic « Tue Feb 08, 2011 7:09 pm
Replies: 1
by tomic » Tue Feb 08, 2011 5:34 pm

1 Replies

5287 Views

Last post by tomic
Tue Feb 08, 2011 7:09 pm
VASP run error under mpich2

Last post by Gu Chenjie « Sun Feb 06, 2011 6:54 am
Replies: 2
by Gu Chenjie » Thu Jan 06, 2011 8:04 am

2 Replies

6384 Views

Last post by Gu Chenjie
Sun Feb 06, 2011 6:54 am
Computer freezes running parallel vasp (and sometimes serial too)

Last post by alex « Wed Feb 02, 2011 8:28 am
Replies: 1
by cat54 » Tue Feb 01, 2011 3:16 pm

1 Replies

5141 Views

Last post by alex
Wed Feb 02, 2011 8:28 am
GW for large supercells

Last post by admin « Mon Jan 31, 2011 1:19 pm
Replies: 1
by chandrima » Tue Jan 04, 2011 12:07 pm

1 Replies

5697 Views

Last post by admin
Mon Jan 31, 2011 1:19 pm
Elastic properties

Last post by forsdan « Sun Jan 23, 2011 7:21 pm
Replies: 1
by sharma » Fri Jan 21, 2011 7:20 am

1 Replies

5321 Views

Last post by forsdan
Sun Jan 23, 2011 7:21 pm
Probleme with Npar in vasp5.2.11

Last post by jsfilhol « Thu Jan 13, 2011 10:04 am
Replies: 3
by jsfilhol » Wed Jan 12, 2011 5:52 pm

3 Replies

6963 Views

Last post by jsfilhol
Thu Jan 13, 2011 10:04 am
Magnetic adatoms on symmetric slab

Last post by alex « Mon Jan 10, 2011 7:43 am
Replies: 3
by mrm » Sun Jan 02, 2011 7:11 pm

3 Replies

6517 Views

Last post by alex
Mon Jan 10, 2011 7:43 am
Segmentation fault

Last post by Gu Chenjie « Thu Jan 06, 2011 7:01 am
Replies: 2
by Gu Chenjie » Wed Dec 29, 2010 8:30 am

2 Replies

8345 Views

Last post by Gu Chenjie
Thu Jan 06, 2011 7:01 am
supported clusters and external pressure

Last post by Sonny « Wed Jan 05, 2011 8:08 pm
Replies: 2
by Sonny » Tue Dec 28, 2010 11:26 am

2 Replies

9367 Views

Last post by Sonny
Wed Jan 05, 2011 8:08 pm
VDW_C6, VDW_R0, IERR=5

Last post by wlscopel « Wed Jan 05, 2011 9:36 am
Replies: 1
by aantony » Mon Jan 03, 2011 6:51 am

1 Replies

10088 Views

Last post by wlscopel
Wed Jan 05, 2011 9:36 am
Regarding max and rms FORCES in OUTCAR

Last post by mrm « Fri Dec 31, 2010 4:42 am
Replies: 2
by mrm » Fri Dec 17, 2010 5:38 am

2 Replies

7595 Views

Last post by mrm
Fri Dec 31, 2010 4:42 am
dlasrt2 dependency in david_inner.F (5.2.11)

Last post by admin « Thu Dec 30, 2010 12:59 pm
Replies: 6
by bernstei » Tue Nov 30, 2010 7:48 pm

6 Replies

10103 Views

Last post by admin
Thu Dec 30, 2010 12:59 pm
WARNING: PSMAXN for non-local potential too small

Last post by admin « Thu Dec 30, 2010 12:55 pm
Replies: 1
by tsemi » Thu Dec 02, 2010 4:32 pm

1 Replies

15511 Views

Last post by admin
Thu Dec 30, 2010 12:55 pm
parallel calculation problem

Last post by admin « Thu Dec 30, 2010 12:20 pm
Replies: 1
by PhyChemKang » Sun Dec 19, 2010 11:49 am

1 Replies

5255 Views

Last post by admin
Thu Dec 30, 2010 12:20 pm
GW calculations

Last post by admin « Thu Dec 30, 2010 12:13 pm
Replies: 1
by chandrima » Mon Dec 27, 2010 3:51 am

1 Replies

4749 Views

Last post by admin
Thu Dec 30, 2010 12:13 pm
position of ions in OUTCAR not consistent with POSCAR

Last post by Yuting « Wed Dec 29, 2010 9:35 pm
Replies: 2
by Yuting » Wed Dec 29, 2010 6:04 pm

2 Replies

7551 Views

Last post by Yuting
Wed Dec 29, 2010 9:35 pm

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