Using VASP

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Bader analysis for US PP

Last post by bakulin « Fri Aug 09, 2013 7:46 am
Replies: 2
by bakulin » Mon Jul 29, 2013 9:41 am

2 Replies

3703 Views

Last post by bakulin
Fri Aug 09, 2013 7:46 am
OPTICAL PROPERTIES

Last post by dilnaazhikodan « Mon Aug 05, 2013 7:27 pm
Replies: 2
by dilnaazhikodan » Mon Jul 29, 2013 12:30 pm

2 Replies

3115 Views

Last post by dilnaazhikodan
Mon Aug 05, 2013 7:27 pm
KPOINTS mesh and number of k points

Last post by dilnaazhikodan « Sun Aug 04, 2013 9:26 am
Replies: 2
by dilnaazhikodan » Wed Jul 31, 2013 9:17 pm

2 Replies

3125 Views

Last post by dilnaazhikodan
Sun Aug 04, 2013 9:26 am
Ce Band structure

Last post by SKS « Sun Aug 04, 2013 5:45 am
Replies: 14
by elelel » Tue Aug 29, 2006 12:59 am

14 Replies

63651 Views

Last post by SKS
Sun Aug 04, 2013 5:45 am
How to include spin orbit LS coupling effects?

Last post by Torbjorn « Fri Aug 02, 2013 6:24 pm
Replies: 2
by kzhuo3 » Wed Jul 03, 2013 6:05 am

2 Replies

4738 Views

Last post by Torbjorn
Fri Aug 02, 2013 6:24 pm
Fermi energy calculations in VASP

Last post by Torbjorn « Fri Aug 02, 2013 6:00 pm
Replies: 1
by deepashri » Tue Jul 16, 2013 8:48 am

1 Replies

5927 Views

Last post by Torbjorn
Fri Aug 02, 2013 6:00 pm
Plotting Charge density

Last post by vasp « Thu Aug 01, 2013 8:44 am
Replies: 7
by vasp » Tue Jul 23, 2013 4:33 pm

7 Replies

13933 Views

Last post by vasp
Thu Aug 01, 2013 8:44 am
Visualizing/Plotting molecular orbitals from VASP calculations

Last post by WolverBean « Wed Jul 31, 2013 8:18 pm
Replies: 1
by saran6187 » Tue Jul 30, 2013 11:03 pm

1 Replies

7540 Views

Last post by WolverBean
Wed Jul 31, 2013 8:18 pm
crystal field splitting

Last post by asaduzza « Wed Jul 31, 2013 12:19 am
Replies: 1
by swarnakamal » Thu Jan 24, 2013 2:05 pm

1 Replies

3590 Views

Last post by asaduzza
Wed Jul 31, 2013 12:19 am
questions for spin spiral

Last post by zhuyan0305 « Fri Jul 26, 2013 2:36 pm
Replies: 1
by zhuyan0305 » Fri Jul 26, 2013 2:03 pm

1 Replies

3373 Views

Last post by zhuyan0305
Fri Jul 26, 2013 2:36 pm
GW POTCARs vs. ordinary PBE POTCARS, they result in different Total Energies! why?

Last post by hosfa « Fri Jul 26, 2013 1:37 pm
Replies: 2
by hosfa » Thu Jul 25, 2013 11:14 am

2 Replies

3994 Views

Last post by hosfa
Fri Jul 26, 2013 1:37 pm
>2.00 occupation value in OUTCAR!

Last post by Torbjorn « Fri Jul 26, 2013 8:22 am
Replies: 1
by hosfa » Thu Jul 25, 2013 10:30 pm

1 Replies

3010 Views

Last post by Torbjorn
Fri Jul 26, 2013 8:22 am
silicene geometry relaxation contrary to literature

Last post by tiechong « Wed Jul 24, 2013 8:17 pm
Replies: 1
by tiechong » Wed Jul 24, 2013 8:16 pm

1 Replies

2687 Views

Last post by tiechong
Wed Jul 24, 2013 8:17 pm
DFT+U U-RAMPING METHOD

Last post by ccccc « Wed Jul 24, 2013 11:44 am
Replies: 9
by ccccc » Wed Jul 03, 2013 5:55 pm

9 Replies

14093 Views

Last post by ccccc
Wed Jul 24, 2013 11:44 am
PAW for M06-L calculations

Last post by WolverBean « Wed Jul 24, 2013 4:00 am
Replies: 3
by ahyla » Tue May 21, 2013 9:28 pm

3 Replies

3834 Views

Last post by WolverBean
Wed Jul 24, 2013 4:00 am
Electronic Convergence Problem!

Last post by theseguys « Mon Jul 22, 2013 4:13 pm
Replies: 3
by zhongchangwang » Sat Jan 20, 2007 9:46 am

3 Replies

5106 Views

Last post by theseguys
Mon Jul 22, 2013 4:13 pm
EFIELD_PEAD and bandstructure

Last post by theseguys « Mon Jul 22, 2013 4:01 pm
Replies: 1
by ashwin » Mon Jun 20, 2011 11:22 pm

1 Replies

4138 Views

Last post by theseguys
Mon Jul 22, 2013 4:01 pm
HSE and spin-orbit interaction

Last post by HJ.Kim « Sat Jul 20, 2013 4:32 pm
Replies: 1
by user » Fri Jun 26, 2009 10:16 pm

1 Replies

3368 Views

Last post by HJ.Kim
Sat Jul 20, 2013 4:32 pm
Adding an external potential to a calculation?

Last post by askhetan « Fri Jul 19, 2013 6:44 pm
Replies: 2
by jms » Tue Jun 18, 2013 5:44 pm

2 Replies

3767 Views

Last post by askhetan
Fri Jul 19, 2013 6:44 pm
problems with SCF convergence

Last post by hachteja « Thu Jul 18, 2013 10:58 pm
Replies: 1
by lcagide » Mon Jun 03, 2013 3:06 pm

1 Replies

3148 Views

Last post by hachteja
Thu Jul 18, 2013 10:58 pm

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