Using VASP

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T2g-Eg DOS from PROCAR

Last post by admin « Mon Mar 30, 2009 4:05 pm
Replies: 1
by simoneca » Mon Mar 30, 2009 9:46 am

1 Replies

5697 Views

Last post by admin
Mon Mar 30, 2009 4:05 pm
Constant presure MD

Last post by ssim « Mon Mar 30, 2009 7:49 am
Replies: 2
by widom » Mon Nov 28, 2005 8:56 pm

2 Replies

6543 Views

Last post by ssim
Mon Mar 30, 2009 7:49 am
About the stress data in OUTCAR file

Last post by shurab « Sun Mar 29, 2009 4:34 am
Replies: 2
by TING QIN » Thu Jan 12, 2006 10:23 am

2 Replies

7971 Views

Last post by shurab
Sun Mar 29, 2009 4:34 am
force of fixed ion will not go to value of EDIFFG?

Last post by mariesto « Sat Mar 28, 2009 2:58 am
Replies: 2
by mariesto » Sat Mar 21, 2009 12:06 pm

2 Replies

4500 Views

Last post by mariesto
Sat Mar 28, 2009 2:58 am
The error about Ge core-level calculation

Last post by qiangxu « Tue Mar 24, 2009 4:27 pm
Replies: 2
by qiangxu » Fri Mar 20, 2009 5:16 am

2 Replies

4457 Views

Last post by qiangxu
Tue Mar 24, 2009 4:27 pm
still weird band behavior

Last post by giacomo giorgi « Tue Mar 24, 2009 11:46 am
Replies: 2
by giacomo giorgi » Tue Mar 24, 2009 4:46 am

2 Replies

4245 Views

Last post by giacomo giorgi
Tue Mar 24, 2009 11:46 am
How to continue the MD simulation?

Last post by admin « Mon Mar 23, 2009 12:54 pm
Replies: 1
by MDrizzle » Thu Mar 19, 2009 5:04 am

1 Replies

3563 Views

Last post by admin
Mon Mar 23, 2009 12:54 pm
strange band occupation

Last post by admin « Mon Mar 23, 2009 10:21 am
Replies: 3
by giacomo giorgi » Thu Mar 19, 2009 11:55 am

3 Replies

4577 Views

Last post by admin
Mon Mar 23, 2009 10:21 am
about the DOSCAR

Last post by admin « Wed Mar 18, 2009 9:23 am
Replies: 1
by linglin » Wed Mar 18, 2009 12:50 am

1 Replies

3149 Views

Last post by admin
Wed Mar 18, 2009 9:23 am
bands 4.6 NPAR=1 VS. 4.5.8 NPAR > 1

Last post by admin « Tue Mar 17, 2009 1:53 pm
Replies: 1
by giacomo giorgi » Tue Mar 17, 2009 8:58 am

1 Replies

4279 Views

Last post by admin
Tue Mar 17, 2009 1:53 pm
Constant temp MD

Last post by vasp « Mon Mar 16, 2009 2:05 am
Replies: 2
by vasp » Mon Mar 09, 2009 5:12 pm

2 Replies

4391 Views

Last post by vasp
Mon Mar 16, 2009 2:05 am
Fixed spin moment of each atom

Last post by admin « Tue Mar 10, 2009 1:25 pm
Replies: 1
by chamn » Sat Feb 21, 2009 3:03 am

1 Replies

4870 Views

Last post by admin
Tue Mar 10, 2009 1:25 pm
MD run

Last post by admin « Tue Mar 10, 2009 1:19 pm
Replies: 1
by TAT » Sun Feb 22, 2009 2:59 am

1 Replies

3679 Views

Last post by admin
Tue Mar 10, 2009 1:19 pm
MD(molecular dynamics

Last post by admin « Tue Mar 10, 2009 1:12 pm
Replies: 1
by ssaicoda » Tue Mar 10, 2009 2:08 am

1 Replies

4470 Views

Last post by admin
Tue Mar 10, 2009 1:12 pm
error in IBZKPT

Last post by admin « Tue Mar 10, 2009 12:33 pm
Replies: 1
by TAT » Tue Mar 10, 2009 3:25 am

1 Replies

8677 Views

Last post by admin
Tue Mar 10, 2009 12:33 pm
How to get force constant matirx?

Last post by xfh00 « Thu Mar 05, 2009 7:44 am
Replies: 2
by xfh00 » Wed Mar 04, 2009 1:41 am

2 Replies

4536 Views

Last post by xfh00
Thu Mar 05, 2009 7:44 am
concerning POSCAR file of organic crystal

Last post by forsdan « Wed Mar 04, 2009 9:47 am
Replies: 1
by kjt0314 » Wed Mar 04, 2009 8:22 am

1 Replies

4194 Views

Last post by forsdan
Wed Mar 04, 2009 9:47 am
Berry phase calculations

Last post by admin « Mon Mar 02, 2009 12:51 pm
Replies: 1
by mf081 » Sat Feb 28, 2009 4:07 pm

1 Replies

3375 Views

Last post by admin
Mon Mar 02, 2009 12:51 pm
Valence electronic strucure screening the core hole

Last post by admin « Mon Mar 02, 2009 12:35 pm
Replies: 1
by Burns » Fri Feb 27, 2009 10:23 am

1 Replies

3330 Views

Last post by admin
Mon Mar 02, 2009 12:35 pm
interaction of one charged and one neutral molecule

Last post by admin « Mon Mar 02, 2009 12:11 pm
Replies: 1
by edurgun » Sun Mar 01, 2009 8:09 pm

1 Replies

3480 Views

Last post by admin
Mon Mar 02, 2009 12:11 pm

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