Originally posted by first_yg at 2011-06-15 10:47:08:
为什么我用不了呢

Which direction to keep? (1-3 --- 1=X,2=Y,3=Z)
3
           0
positions read
charge density read
forrtl: severe (71): integer divide by zero
Image              ...

Originally posted by enola at 2011-06-15 14:46:23:
不是很清楚啊，最好是你的VASP是用什么编译器，Vtot也用一样的编译器。。。
还有这个只适合V5。。。检查下文件格式。。。

Originally posted by first_yg at 2011-06-15 16:04:27:
哦，我是4.6

786311楼: Originally posted by enola at 2011-06-06 12:47:26:
Vtot的VASP.5.X.X适用版，由候老师修改。。。。。

2385655楼: Originally posted by hpyang1989 at 2012-04-09 21:51:51:
Which direction to keep? (1-3 --- 1=X,2=Y,3=Z)
3
         160
positions read
NPLWV .GT. NGXM**3 (    32256000 ).
您好，我出现这个之后就没然后了 请问我应该在哪里看功函数呢？

2385762楼: Originally posted by enola at 2012-04-10 08:27:10:
有个输出文件的，在那里面

2385837楼: Originally posted by hpyang1989 at 2012-04-10 11:02:53:
.. /vt$ls
ave-mesh  ave-mesh1  ave-mesh1.f  ave-mesh.f  CHGCAR  LOCPOT  vtotav  vtotav.f  vtotav-v5.2  vtotav-v5.2.f
.. /vt$./vtotav-v5.2
Which direction to keep? (1-3 --- 1=X,2=Y,3=Z)
3
   ...

2386312楼: Originally posted by enola at 2012-04-11 09:17:21:
会有一个OUT.dat文件
你的那个vtot处理程序对吗？
VASP5和原先的vtot不兼容

2386312楼: Originally posted by enola at 2012-04-11 09:17:21:
会有一个OUT.dat文件
你的那个vtot处理程序对吗？
VASP5和原先的vtot不兼容