Using VASP

Moderators: Global Moderator, Moderator

New Topic

5323 topics

Page 158 of 267
- Jump to page:
Previous
1
…
156
157
158
159
160
…
267
Next

Topics

Replies

Views

Last post

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

4044 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

8492 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

5008 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

1476 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

1688 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

2037 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

1512 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

1209 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

5950 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

1713 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

2832 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

2503 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

1828 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

1850 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

1634 Views

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

Last post by alex « Thu Jul 18, 2013 3:56 pm
Replies: 2
by alex » Wed Jul 17, 2013 1:22 pm

2 Replies

1479 Views

Last post by alex
Thu Jul 18, 2013 3:56 pm
continuation of a job

Last post by ccccc « Wed Jul 17, 2013 12:17 pm
Replies: 2
by ccccc » Tue Jul 16, 2013 4:21 pm

2 Replies

1722 Views

Last post by ccccc
Wed Jul 17, 2013 12:17 pm
Saddle point frequencies using IBRION = 5

Last post by KNG208 « Tue Jul 16, 2013 4:17 pm
Replies: 2
by KNG208 » Thu Jul 11, 2013 4:29 pm

2 Replies

1371 Views

Last post by KNG208
Tue Jul 16, 2013 4:17 pm
LDA+U calculation

Last post by Giorgia « Mon Jul 15, 2013 7:05 pm
Replies: 1
by Giorgia » Mon Jul 15, 2013 4:25 am

1 Replies

822 Views

Last post by Giorgia
Mon Jul 15, 2013 7:05 pm
Difference in the bandstructure of fcc Al by 1 and 4 atomic supercells

Last post by sumanali « Sat Jul 13, 2013 7:57 am
Replies: 6
by riche » Thu Feb 24, 2011 3:11 pm

6 Replies

2436 Views

Last post by sumanali
Sat Jul 13, 2013 7:57 am

New Topic

5323 topics

Page 158 of 267
- Jump to page:
Previous
1
…
156
157
158
159
160
…
267
Next

Return to Board Index

Forum permissions

You cannot post new topics in this forum
You cannot reply to topics in this forum
You cannot edit your posts in this forum
You cannot delete your posts in this forum
You cannot post attachments in this forum