[Pw_forum] problem about pp.x: namelist plot not found or invalid

2011-11-15 Thread GAO Zhe
Thank you very much for your patient.
since the bash script was a little bit complex, the careless and low level 
error occurred. Next time, I will check my input more carefully.


--
GAO Zhe
CMC Lab, MSE, SNU, Seoul, S.Korea




At 2011-11-15 19:50:18,"Guido Fratesi"  wrote:
>No, the order within the namelist is not important, but you solved the 
>problem by correctly typing the variable names.
>GF
>
>Il 11/15/2011 12:47 PM, GAO Zhe ha scritto:
>> Oh, I am sorry to bother~ I have found the problem.
>> This problem occurred when filepp(i) have not been written together, i.e.:
>> filepp(1)
>> filepp(2)
>> 
>> filepp(max)
>> weight(1)
>> weight(2)
>> 
>> weight(max)
>> is the only right way to create the input file.
>>
>>
>> At 2011-11-15 19:29:46,"GAO Zhe"  wrote:
>>
>> Dear QE developer and users:
>> Hi
>> I am using pp.x to generate the charge density file on certain
>> surface. The work for namelist, , worked very well.
>> However, when I wanna summary the results from  to xcrysden
>> file, the error occurred:
>> chdens, namelist plot not found or invalid, exiting
>> Actually, I changed chdens.f90 a little bit on INTEGER, PARAMETER ::
>> nfilemax = 30, but I do not think this is the reason to meet such a
>> problem~ Since if I create a short input file by PWGUI, then it
>> works well. However, even if the short one created by myself, the
>> same error happened.
>> Now, I need to summary more than 20 |psi|^2files due to the density
>> k-points mesh, so it is impossible to build the input file via
>> PWGUI's help.
>> I checked chdens.f90, again, but I cannot understand the meaning of
>> error~
>> Any suggetstion will be welcome.
>> P.S.: This is my input file (the  file have generated in the
>> previous steps) :
>> 
>> /
>> 
>> nfile = 27 ,
>> filpp(1) = 'CD_1.dat' ,
>> weight(1) = 0.016 ,
>> filpp(2) = 'CD_2.dat' ,
>> weight(2) = 0.032 ,
>> filpp(3) = 'CD_3.dat' ,
>> weight(3) = 0.032 ,
>> filpp(4) = 'CD_4.dat' ,
>> weight(4) = 0.032 ,
>> filpp(5) = 'CD_5.dat' ,
>> weight(5) = 0.064 ,
>> filpp(6) = 'CD_6.dat' ,
>> weight(6) = 0.064 ,
>> filpp(7) = 'CD_7.dat' ,
>> weight(7) = 0.032 ,
>> filpp(8) = 'CD_8.dat' ,
>> weight(8) = 0.064 ,
>> filpp(9) = 'CD_9.dat' ,
>> weight(9) = 0.064 ,
>> filpp(10) = 'CD_10.dat' ,
>> weight(10) = 0.032 ,
>> filpp(11) = 'CD_11.dat' ,
>> weight(11) = 0.064 ,
>> filpp(12) = 'CD_12.dat' ,
>> weight(12) = 0.064 ,
>> filpp(13) = 'CD_13.dat' ,
>> weight(13) = 0.064 ,
>> filpp(14) = 'CD_14.dat' ,
>> weight(14) = 0.128 ,
>> filpp(15) = 'CD_15.dat' ,
>> weight(15) = 0.128 ,
>> filpp(16) = 'CD_16.dat' ,
>> weight(16) = 0.064 ,
>> filpp(17) = 'CD_17.dat' ,
>> weight(17) = 0.128 ,
>> filpp(18) = 'CD_18.dat' ,
>> weight(18) = 0.128 ,
>> filpp(19) = 'CD_19.dat' ,
>> weight(19) = 0.032 ,
>> filpp(20) = 'CD_20.dat' ,
>> weight(20) = 0.064 ,
>> filpp(21) = 'CD_21.dat' ,
>> weight(21) = 0.064 ,
>> filpp(22) = 'CD_22.dat' ,
>> weight(22) = 0.064 ,
>> filpp(23) = 'CD_23.dat' ,
>> weight(23) = 0.128 ,
>> filpp(24) = 'CD_24.dat' ,
>> weight(24) = 0.128 ,
>> filpp(25) = 'CD_25.dat' ,
>> weight(25) = 0.064 ,
>> filpp(26) = 'CD_26.dat' ,
>> weight(26) = 0.128 ,
>> filpp(27) = 'CD_27.dat' ,
>> weight(27) = 0.128 ,
>> fileout = 'CDresult.xsf' ,
>> iflag = 2 ,
>> output_format = 3 ,
>> e1(1) = 2.0,
>> e1(2) = 0.0,
>> e1(3) = 0.0,
>> e2(1) = 0.0,
>> e2(2) = 2.0,
>> e2(3) = 0.0,
>> x0(1) = 0.0,
>> x0(2) = 0.0,
>> x0(3) = 0.0,
>> nx = 45 ,
>> ny = 45 ,
>> /
>>
>>
>>
>> --
>> GAO Zhe
>> CMC Lab, MSE, SNU, Seoul, S.Korea
>>
>>
>>
>>
>>
>>
>> ___
>> Pw_forum mailing list
>> Pw_forum at pwscf.org
>> http://www.democritos.it/mailman/listinfo/pw_forum
>
>-- 
>Guido Fratesi
>
>Dipartimento di Scienza dei Materiali
>Universita` degli Studi di Milano-Bicocca
>via Cozzi 53, 20125 Milano, Italy
>___
>Pw_forum mailing list
>Pw_forum at pwscf.org
>http://www.democritos.it/mailman/listinfo/pw_forum
-- next part --
An HTML attachment was scrubbed...
URL: 
http://www.democritos.it/pipermail/pw_forum/attachments/2015/d2b65c9c/attachment.htm
 


[Pw_forum] problem about pp.x: namelist plot not found or invalid

2011-11-15 Thread GAO Zhe
I am sorry, this is my mistake, but I thing the order of filepp(i) and 
weight(i) could be another problem.





At 2011-11-15 19:44:40,"Guido Fratesi"  wrote:
>Dear Gao Zhe,
>"filpp" should be "filepp", at least.
>Guido
>
>Il 11/15/2011 12:29 PM, GAO Zhe ha scritto:
>> Dear QE developer and users:
>> Hi
>> I am using pp.x to generate the charge density file on certain surface.
>> The work for namelist, , worked very well.
>> However, when I wanna summary the results from  to xcrysden
>> file, the error occurred:
>> chdens, namelist plot not found or invalid, exiting
>> Actually, I changed chdens.f90 a little bit on INTEGER, PARAMETER ::
>> nfilemax = 30, but I do not think this is the reason to meet such a
>> problem~ Since if I create a short input file by PWGUI, then it works
>> well. However, even if the short one created by myself, the same error
>> happened.
>> Now, I need to summary more than 20 |psi|^2files due to the density
>> k-points mesh, so it is impossible to build the input file via PWGUI's help.
>> I checked chdens.f90, again, but I cannot understand the meaning of error~
>> Any suggetstion will be welcome.
>> P.S.: This is my input file (the  file have generated in the
>> previous steps) :
>> 
>> /
>> 
>> nfile = 27 ,
>> filpp(1) = 'CD_1.dat' ,
>> weight(1) = 0.016 ,
>> filpp(2) = 'CD_2.dat' ,
>> weight(2) = 0.032 ,
>> filpp(3) = 'CD_3.dat' ,
>> weight(3) = 0.032 ,
>> filpp(4) = 'CD_4.dat' ,
>> weight(4) = 0.032 ,
>> filpp(5) = 'CD_5.dat' ,
>> weight(5) = 0.064 ,
>> filpp(6) = 'CD_6.dat' ,
>> weight(6) = 0.064 ,
>> filpp(7) = 'CD_7.dat' ,
>> weight(7) = 0.032 ,
>> filpp(8) = 'CD_8.dat' ,
>> weight(8) = 0.064 ,
>> filpp(9) = 'CD_9.dat' ,
>> weight(9) = 0.064 ,
>> filpp(10) = 'CD_10.dat' ,
>> weight(10) = 0.032 ,
>> filpp(11) = 'CD_11.dat' ,
>> weight(11) = 0.064 ,
>> filpp(12) = 'CD_12.dat' ,
>> weight(12) = 0.064 ,
>> filpp(13) = 'CD_13.dat' ,
>> weight(13) = 0.064 ,
>> filpp(14) = 'CD_14.dat' ,
>> weight(14) = 0.128 ,
>> filpp(15) = 'CD_15.dat' ,
>> weight(15) = 0.128 ,
>> filpp(16) = 'CD_16.dat' ,
>> weight(16) = 0.064 ,
>> filpp(17) = 'CD_17.dat' ,
>> weight(17) = 0.128 ,
>> filpp(18) = 'CD_18.dat' ,
>> weight(18) = 0.128 ,
>> filpp(19) = 'CD_19.dat' ,
>> weight(19) = 0.032 ,
>> filpp(20) = 'CD_20.dat' ,
>> weight(20) = 0.064 ,
>> filpp(21) = 'CD_21.dat' ,
>> weight(21) = 0.064 ,
>> filpp(22) = 'CD_22.dat' ,
>> weight(22) = 0.064 ,
>> filpp(23) = 'CD_23.dat' ,
>> weight(23) = 0.128 ,
>> filpp(24) = 'CD_24.dat' ,
>> weight(24) = 0.128 ,
>> filpp(25) = 'CD_25.dat' ,
>> weight(25) = 0.064 ,
>> filpp(26) = 'CD_26.dat' ,
>> weight(26) = 0.128 ,
>> filpp(27) = 'CD_27.dat' ,
>> weight(27) = 0.128 ,
>> fileout = 'CDresult.xsf' ,
>> iflag = 2 ,
>> output_format = 3 ,
>> e1(1) = 2.0,
>> e1(2) = 0.0,
>> e1(3) = 0.0,
>> e2(1) = 0.0,
>> e2(2) = 2.0,
>> e2(3) = 0.0,
>> x0(1) = 0.0,
>> x0(2) = 0.0,
>> x0(3) = 0.0,
>> nx = 45 ,
>> ny = 45 ,
>> /
>>
>>
>>
>> --
>> GAO Zhe
>> CMC Lab, MSE, SNU, Seoul, S.Korea
>>
>>
>>
>>
>> ___
>> Pw_forum mailing list
>> Pw_forum at pwscf.org
>> http://www.democritos.it/mailman/listinfo/pw_forum
>
>-- 
>Guido Fratesi
>
>Dipartimento di Scienza dei Materiali
>Universita` degli Studi di Milano-Bicocca
>via Cozzi 53, 20125 Milano, Italy
>___
>Pw_forum mailing list
>Pw_forum at pwscf.org
>http://www.democritos.it/mailman/listinfo/pw_forum
-- next part --
An HTML attachment was scrubbed...
URL: 
http://www.democritos.it/pipermail/pw_forum/attachments/2015/69f67b40/attachment-0001.htm
 


[Pw_forum] problem about pp.x: namelist plot not found or invalid

2011-11-15 Thread GAO Zhe
Oh, I am sorry to bother~ I have found the problem.
This problem occurred when filepp(i) have not been written together, i.e.:
filepp(1)
filepp(2)

filepp(max)
weight(1)
weight(2)

weight(max)
is the only right way to create the input file.



At 2011-11-15 19:29:46,"GAO Zhe"  wrote:

 Dear QE developer and users:
Hi
I am using pp.x to generate the charge density file on certain surface. The 
work for namelist, , worked very well.
However, when I wanna summary the results from  to xcrysden file, the 
error occurred:
  chdens, namelist plot not found or invalid, exiting
Actually, I changed chdens.f90 a little bit on   INTEGER, PARAMETER :: nfilemax 
= 30, but I do not think this is the reason to meet such a problem~ Since if I 
create a short input file by PWGUI, then it works well. However, even if the 
short one created by myself, the same error happened.
Now, I need to summary more than 20 |psi|^2 files due to the density k-points 
mesh, so it is impossible to build the input file via PWGUI's help.
I checked chdens.f90, again, but I cannot understand the meaning of error~
Any suggetstion will be welcome.
P.S.: This is my input file (the  file have generated in the previous 
steps) :
 
 /
 
   nfile = 27 ,
filpp(1) = 'CD_1.dat' ,
   weight(1) = 0.016 ,
filpp(2) = 'CD_2.dat' ,
   weight(2) = 0.032 ,
filpp(3) = 'CD_3.dat' ,
   weight(3) = 0.032 ,
filpp(4) = 'CD_4.dat' ,
   weight(4) = 0.032 ,
filpp(5) = 'CD_5.dat' ,
   weight(5) = 0.064 ,
filpp(6) = 'CD_6.dat' ,
   weight(6) = 0.064 ,
filpp(7) = 'CD_7.dat' ,
   weight(7) = 0.032 ,
filpp(8) = 'CD_8.dat' ,
   weight(8) = 0.064 ,
filpp(9) = 'CD_9.dat' ,
   weight(9) = 0.064 ,
   filpp(10) = 'CD_10.dat' ,
  weight(10) = 0.032 ,
   filpp(11) = 'CD_11.dat' ,
  weight(11) = 0.064 ,
   filpp(12) = 'CD_12.dat' ,
  weight(12) = 0.064 ,
   filpp(13) = 'CD_13.dat' ,
  weight(13) = 0.064 ,
   filpp(14) = 'CD_14.dat' ,
  weight(14) = 0.128 ,
   filpp(15) = 'CD_15.dat' ,
  weight(15) = 0.128 ,
   filpp(16) = 'CD_16.dat' ,
  weight(16) = 0.064 ,
   filpp(17) = 'CD_17.dat' ,
  weight(17) = 0.128 ,
   filpp(18) = 'CD_18.dat' ,
  weight(18) = 0.128 ,
   filpp(19) = 'CD_19.dat' ,
  weight(19) = 0.032 ,
   filpp(20) = 'CD_20.dat' ,
  weight(20) = 0.064 ,
   filpp(21) = 'CD_21.dat' ,
  weight(21) = 0.064 ,
   filpp(22) = 'CD_22.dat' ,
  weight(22) = 0.064 ,
   filpp(23) = 'CD_23.dat' ,
  weight(23) = 0.128 ,
   filpp(24) = 'CD_24.dat' ,
  weight(24) = 0.128 ,
   filpp(25) = 'CD_25.dat' ,
  weight(25) = 0.064 ,
   filpp(26) = 'CD_26.dat' ,
  weight(26) = 0.128 ,
   filpp(27) = 'CD_27.dat' ,
  weight(27) = 0.128 ,
 fileout = 'CDresult.xsf' ,
   iflag = 2 ,
   output_format = 3 ,
   e1(1) = 2.0,
   e1(2) = 0.0,
   e1(3) = 0.0,
   e2(1) = 0.0,
   e2(2) = 2.0,
   e2(3) = 0.0,
   x0(1) = 0.0,
   x0(2) = 0.0,
   x0(3) = 0.0,
  nx = 45 ,
  ny = 45 ,
 /




--
GAO Zhe
CMC Lab, MSE, SNU, Seoul, S.Korea



-- next part --
An HTML attachment was scrubbed...
URL: 
http://www.democritos.it/pipermail/pw_forum/attachments/2015/5769bf63/attachment.htm
 


[Pw_forum] problem about pp.x: namelist plot not found or invalid

2011-11-15 Thread GAO Zhe
 Dear QE developer and users:
Hi
I am using pp.x to generate the charge density file on certain surface. The 
work for namelist, , worked very well.
However, when I wanna summary the results from  to xcrysden file, the 
error occurred:
  chdens, namelist plot not found or invalid, exiting
Actually, I changed chdens.f90 a little bit on   INTEGER, PARAMETER :: nfilemax 
= 30, but I do not think this is the reason to meet such a problem~ Since if I 
create a short input file by PWGUI, then it works well. However, even if the 
short one created by myself, the same error happened.
Now, I need to summary more than 20 |psi|^2 files due to the density k-points 
mesh, so it is impossible to build the input file via PWGUI's help.
I checked chdens.f90, again, but I cannot understand the meaning of error~
Any suggetstion will be welcome.
P.S.: This is my input file (the  file have generated in the previous 
steps) :
 
 /
 
   nfile = 27 ,
filpp(1) = 'CD_1.dat' ,
   weight(1) = 0.016 ,
filpp(2) = 'CD_2.dat' ,
   weight(2) = 0.032 ,
filpp(3) = 'CD_3.dat' ,
   weight(3) = 0.032 ,
filpp(4) = 'CD_4.dat' ,
   weight(4) = 0.032 ,
filpp(5) = 'CD_5.dat' ,
   weight(5) = 0.064 ,
filpp(6) = 'CD_6.dat' ,
   weight(6) = 0.064 ,
filpp(7) = 'CD_7.dat' ,
   weight(7) = 0.032 ,
filpp(8) = 'CD_8.dat' ,
   weight(8) = 0.064 ,
filpp(9) = 'CD_9.dat' ,
   weight(9) = 0.064 ,
   filpp(10) = 'CD_10.dat' ,
  weight(10) = 0.032 ,
   filpp(11) = 'CD_11.dat' ,
  weight(11) = 0.064 ,
   filpp(12) = 'CD_12.dat' ,
  weight(12) = 0.064 ,
   filpp(13) = 'CD_13.dat' ,
  weight(13) = 0.064 ,
   filpp(14) = 'CD_14.dat' ,
  weight(14) = 0.128 ,
   filpp(15) = 'CD_15.dat' ,
  weight(15) = 0.128 ,
   filpp(16) = 'CD_16.dat' ,
  weight(16) = 0.064 ,
   filpp(17) = 'CD_17.dat' ,
  weight(17) = 0.128 ,
   filpp(18) = 'CD_18.dat' ,
  weight(18) = 0.128 ,
   filpp(19) = 'CD_19.dat' ,
  weight(19) = 0.032 ,
   filpp(20) = 'CD_20.dat' ,
  weight(20) = 0.064 ,
   filpp(21) = 'CD_21.dat' ,
  weight(21) = 0.064 ,
   filpp(22) = 'CD_22.dat' ,
  weight(22) = 0.064 ,
   filpp(23) = 'CD_23.dat' ,
  weight(23) = 0.128 ,
   filpp(24) = 'CD_24.dat' ,
  weight(24) = 0.128 ,
   filpp(25) = 'CD_25.dat' ,
  weight(25) = 0.064 ,
   filpp(26) = 'CD_26.dat' ,
  weight(26) = 0.128 ,
   filpp(27) = 'CD_27.dat' ,
  weight(27) = 0.128 ,
 fileout = 'CDresult.xsf' ,
   iflag = 2 ,
   output_format = 3 ,
   e1(1) = 2.0,
   e1(2) = 0.0,
   e1(3) = 0.0,
   e2(1) = 0.0,
   e2(2) = 2.0,
   e2(3) = 0.0,
   x0(1) = 0.0,
   x0(2) = 0.0,
   x0(3) = 0.0,
  nx = 45 ,
  ny = 45 ,
 /




--
GAO Zhe
CMC Lab, MSE, SNU, Seoul, S.Korea
-- next part --
An HTML attachment was scrubbed...
URL: 
http://www.democritos.it/pipermail/pw_forum/attachments/2015/2b7315c2/attachment.htm
 


[Pw_forum] problem about pp.x: namelist plot not found or invalid

2011-11-15 Thread Guido Fratesi
No, the order within the namelist is not important, but you solved the 
problem by correctly typing the variable names.
GF

Il 11/15/2011 12:47 PM, GAO Zhe ha scritto:
> Oh, I am sorry to bother~ I have found the problem.
> This problem occurred when filepp(i) have not been written together, i.e.:
> filepp(1)
> filepp(2)
> 
> filepp(max)
> weight(1)
> weight(2)
> 
> weight(max)
> is the only right way to create the input file.
>
>
> At 2011-11-15 19:29:46,"GAO Zhe"  wrote:
>
> Dear QE developer and users:
> Hi
> I am using pp.x to generate the charge density file on certain
> surface. The work for namelist, , worked very well.
> However, when I wanna summary the results from  to xcrysden
> file, the error occurred:
> chdens, namelist plot not found or invalid, exiting
> Actually, I changed chdens.f90 a little bit on INTEGER, PARAMETER ::
> nfilemax = 30, but I do not think this is the reason to meet such a
> problem~ Since if I create a short input file by PWGUI, then it
> works well. However, even if the short one created by myself, the
> same error happened.
> Now, I need to summary more than 20 |psi|^2files due to the density
> k-points mesh, so it is impossible to build the input file via
> PWGUI's help.
> I checked chdens.f90, again, but I cannot understand the meaning of
> error~
> Any suggetstion will be welcome.
> P.S.: This is my input file (the  file have generated in the
> previous steps) :
> 
> /
> 
> nfile = 27 ,
> filpp(1) = 'CD_1.dat' ,
> weight(1) = 0.016 ,
> filpp(2) = 'CD_2.dat' ,
> weight(2) = 0.032 ,
> filpp(3) = 'CD_3.dat' ,
> weight(3) = 0.032 ,
> filpp(4) = 'CD_4.dat' ,
> weight(4) = 0.032 ,
> filpp(5) = 'CD_5.dat' ,
> weight(5) = 0.064 ,
> filpp(6) = 'CD_6.dat' ,
> weight(6) = 0.064 ,
> filpp(7) = 'CD_7.dat' ,
> weight(7) = 0.032 ,
> filpp(8) = 'CD_8.dat' ,
> weight(8) = 0.064 ,
> filpp(9) = 'CD_9.dat' ,
> weight(9) = 0.064 ,
> filpp(10) = 'CD_10.dat' ,
> weight(10) = 0.032 ,
> filpp(11) = 'CD_11.dat' ,
> weight(11) = 0.064 ,
> filpp(12) = 'CD_12.dat' ,
> weight(12) = 0.064 ,
> filpp(13) = 'CD_13.dat' ,
> weight(13) = 0.064 ,
> filpp(14) = 'CD_14.dat' ,
> weight(14) = 0.128 ,
> filpp(15) = 'CD_15.dat' ,
> weight(15) = 0.128 ,
> filpp(16) = 'CD_16.dat' ,
> weight(16) = 0.064 ,
> filpp(17) = 'CD_17.dat' ,
> weight(17) = 0.128 ,
> filpp(18) = 'CD_18.dat' ,
> weight(18) = 0.128 ,
> filpp(19) = 'CD_19.dat' ,
> weight(19) = 0.032 ,
> filpp(20) = 'CD_20.dat' ,
> weight(20) = 0.064 ,
> filpp(21) = 'CD_21.dat' ,
> weight(21) = 0.064 ,
> filpp(22) = 'CD_22.dat' ,
> weight(22) = 0.064 ,
> filpp(23) = 'CD_23.dat' ,
> weight(23) = 0.128 ,
> filpp(24) = 'CD_24.dat' ,
> weight(24) = 0.128 ,
> filpp(25) = 'CD_25.dat' ,
> weight(25) = 0.064 ,
> filpp(26) = 'CD_26.dat' ,
> weight(26) = 0.128 ,
> filpp(27) = 'CD_27.dat' ,
> weight(27) = 0.128 ,
> fileout = 'CDresult.xsf' ,
> iflag = 2 ,
> output_format = 3 ,
> e1(1) = 2.0,
> e1(2) = 0.0,
> e1(3) = 0.0,
> e2(1) = 0.0,
> e2(2) = 2.0,
> e2(3) = 0.0,
> x0(1) = 0.0,
> x0(2) = 0.0,
> x0(3) = 0.0,
> nx = 45 ,
> ny = 45 ,
> /
>
>
>
> --
> GAO Zhe
> CMC Lab, MSE, SNU, Seoul, S.Korea
>
>
>
>
>
>
> ___
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum

-- 
Guido Fratesi

Dipartimento di Scienza dei Materiali
Universita` degli Studi di Milano-Bicocca
via Cozzi 53, 20125 Milano, Italy


[Pw_forum] problem about pp.x: namelist plot not found or invalid

2011-11-15 Thread Guido Fratesi
Dear Gao Zhe,
"filpp" should be "filepp", at least.
Guido

Il 11/15/2011 12:29 PM, GAO Zhe ha scritto:
> Dear QE developer and users:
> Hi
> I am using pp.x to generate the charge density file on certain surface.
> The work for namelist, , worked very well.
> However, when I wanna summary the results from  to xcrysden
> file, the error occurred:
> chdens, namelist plot not found or invalid, exiting
> Actually, I changed chdens.f90 a little bit on INTEGER, PARAMETER ::
> nfilemax = 30, but I do not think this is the reason to meet such a
> problem~ Since if I create a short input file by PWGUI, then it works
> well. However, even if the short one created by myself, the same error
> happened.
> Now, I need to summary more than 20 |psi|^2files due to the density
> k-points mesh, so it is impossible to build the input file via PWGUI's help.
> I checked chdens.f90, again, but I cannot understand the meaning of error~
> Any suggetstion will be welcome.
> P.S.: This is my input file (the  file have generated in the
> previous steps) :
> 
> /
> 
> nfile = 27 ,
> filpp(1) = 'CD_1.dat' ,
> weight(1) = 0.016 ,
> filpp(2) = 'CD_2.dat' ,
> weight(2) = 0.032 ,
> filpp(3) = 'CD_3.dat' ,
> weight(3) = 0.032 ,
> filpp(4) = 'CD_4.dat' ,
> weight(4) = 0.032 ,
> filpp(5) = 'CD_5.dat' ,
> weight(5) = 0.064 ,
> filpp(6) = 'CD_6.dat' ,
> weight(6) = 0.064 ,
> filpp(7) = 'CD_7.dat' ,
> weight(7) = 0.032 ,
> filpp(8) = 'CD_8.dat' ,
> weight(8) = 0.064 ,
> filpp(9) = 'CD_9.dat' ,
> weight(9) = 0.064 ,
> filpp(10) = 'CD_10.dat' ,
> weight(10) = 0.032 ,
> filpp(11) = 'CD_11.dat' ,
> weight(11) = 0.064 ,
> filpp(12) = 'CD_12.dat' ,
> weight(12) = 0.064 ,
> filpp(13) = 'CD_13.dat' ,
> weight(13) = 0.064 ,
> filpp(14) = 'CD_14.dat' ,
> weight(14) = 0.128 ,
> filpp(15) = 'CD_15.dat' ,
> weight(15) = 0.128 ,
> filpp(16) = 'CD_16.dat' ,
> weight(16) = 0.064 ,
> filpp(17) = 'CD_17.dat' ,
> weight(17) = 0.128 ,
> filpp(18) = 'CD_18.dat' ,
> weight(18) = 0.128 ,
> filpp(19) = 'CD_19.dat' ,
> weight(19) = 0.032 ,
> filpp(20) = 'CD_20.dat' ,
> weight(20) = 0.064 ,
> filpp(21) = 'CD_21.dat' ,
> weight(21) = 0.064 ,
> filpp(22) = 'CD_22.dat' ,
> weight(22) = 0.064 ,
> filpp(23) = 'CD_23.dat' ,
> weight(23) = 0.128 ,
> filpp(24) = 'CD_24.dat' ,
> weight(24) = 0.128 ,
> filpp(25) = 'CD_25.dat' ,
> weight(25) = 0.064 ,
> filpp(26) = 'CD_26.dat' ,
> weight(26) = 0.128 ,
> filpp(27) = 'CD_27.dat' ,
> weight(27) = 0.128 ,
> fileout = 'CDresult.xsf' ,
> iflag = 2 ,
> output_format = 3 ,
> e1(1) = 2.0,
> e1(2) = 0.0,
> e1(3) = 0.0,
> e2(1) = 0.0,
> e2(2) = 2.0,
> e2(3) = 0.0,
> x0(1) = 0.0,
> x0(2) = 0.0,
> x0(3) = 0.0,
> nx = 45 ,
> ny = 45 ,
> /
>
>
>
> --
> GAO Zhe
> CMC Lab, MSE, SNU, Seoul, S.Korea
>
>
>
>
> ___
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum

-- 
Guido Fratesi

Dipartimento di Scienza dei Materiali
Universita` degli Studi di Milano-Bicocca
via Cozzi 53, 20125 Milano, Italy